 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer01_STD_M11_def2SVPD.in
 Output=26_junionone_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-32483.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32484.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=26_junionone_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:35 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.843861000000      0.588513000000      1.590318000000
  C                                                -2.018204000000      0.424265000000      0.084751000000
  C                                                -0.856893000000     -0.408703000000     -0.589828000000
  C                                                 0.485225000000     -0.407760000000      0.025693000000
  C                                                 1.609556000000      0.001394000000     -0.566648000000
  C                                                 2.918071000000     -0.019332000000      0.133614000000
  O                                                 3.039154000000     -0.402492000000      1.280585000000
  C                                                -2.305460000000      1.761314000000     -0.573782000000
  C                                                -2.977579000000     -0.750179000000     -0.258376000000
  C                                                -1.752114000000     -1.669731000000     -0.448443000000
  C                                                 4.104594000000      0.468016000000     -0.666946000000
  H                                                -3.507633000000     -0.576978000000     -1.196011000000
  H                                                -3.702742000000     -1.029046000000      0.506445000000
  H                                                -0.787609000000     -0.115682000000     -1.639725000000
  H                                                -1.511957000000     -2.231397000000      0.454425000000
  H                                                -1.756468000000     -2.357491000000     -1.292692000000
  H                                                -1.649939000000     -0.363032000000      2.087921000000
  H                                                -2.753812000000      1.008771000000      2.024721000000
  H                                                -1.016421000000      1.262039000000      1.822785000000
  H                                                -1.480256000000      2.460114000000     -0.412932000000
  H                                                -3.210529000000      2.213045000000     -0.158939000000
  H                                                -2.448800000000      1.648912000000     -1.650360000000
  H                                                 0.569847000000     -0.762540000000      1.049131000000
  H                                                 1.593223000000      0.362635000000     -1.590100000000
  H                                                 4.223011000000     -0.138714000000     -1.568854000000
  H                                                 5.009053000000      0.415379000000     -0.066038000000
  H                                                 3.937783000000      1.497147000000     -0.996563000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524502   0.000000
     3  C    2.592601   1.580359   0.000000
     4  C    2.977457   2.638733   1.476532   0.000000
     5  C    4.113794   3.709957   2.500417   1.335064   0.000000
     6  C    5.016718   4.956408   3.863332   2.466022   1.484253
     7  O    4.992180   5.262168   4.321766   2.845582   2.370473
     8  C    2.504369   1.517854   2.609133   3.584993   4.292403
     9  C    2.548545   1.554817   2.173425   3.491269   4.658508
    10  C    3.043785   2.177135   1.552933   2.612099   3.755989
    11  C    6.363480   6.168924   5.038942   3.787686   2.540278
    12  H    3.448208   2.204821   2.724371   4.179008   5.188086
    13  H    2.691973   2.264422   3.112153   4.261008   5.516688
    14  H    3.470553   2.186258   1.092220   2.116373   2.628992
    15  H    3.058154   2.728642   2.200406   2.738284   3.971371
    16  H    4.122902   3.115128   2.258545   3.250350   4.173919
    17  H    1.091170   2.183608   2.793089   2.968789   4.219461
    18  H    1.092398   2.155516   3.527520   4.061285   5.173875
    19  H    1.091941   2.173982   2.938967   2.876232   3.767542
    20  H    2.765522   2.163737   2.941086   3.504313   3.951692
    21  H    2.750779   2.163506   3.549483   4.534458   5.318914
    22  H    3.463003   2.166976   2.809391   3.955699   4.512095
    23  H    2.818548   3.006084   2.201584   1.086487   2.067688
    24  H    4.688243   3.981373   2.756551   2.105221   1.085457
    25  H    6.878674   6.481059   5.180426   4.072593   2.802534
    26  H    7.052370   7.028880   5.946662   4.599021   3.461008
    27  H    6.398826   6.147690   5.175579   4.073553   2.800490
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215325   0.000000
     8  C    5.563846   6.056867   0.000000
     9  C    5.953695   6.220158   2.618935   0.000000
    10  C    4.987307   5.248970   3.477639   1.543848   0.000000
    11  C    1.512032   2.384497   6.539885   7.197785   6.238488
    12  H    6.585480   7.001742   2.701851   1.090924   2.198821
    13  H    6.707734   6.815059   3.302332   1.090220   2.264341
    14  H    4.109267   4.822301   2.638791   2.665836   2.182771
    15  H    4.961985   4.973937   4.198642   2.202303   1.090098
    16  H    5.417809   5.782886   4.216963   2.268121   1.088939
    17  H    4.980378   4.758250   3.468028   2.723531   2.855003
    18  H    6.066592   6.008648   2.742181   2.890763   3.780782
    19  H    4.469389   4.417277   2.766664   3.496626   3.780872
    20  H    5.078548   5.611379   1.093232   3.545680   4.138936
    21  H    6.529076   6.926168   1.093300   2.974029   4.157732
    22  H    5.896516   6.551056   1.091879   2.823626   3.597689
    23  H    2.627677   2.506129   4.155848   3.780735   2.908131
    24  H    2.207331   3.304084   4.264849   4.889179   4.077398
    25  H    2.148376   3.096837   6.871769   7.344368   6.269087
    26  H    2.145004   2.522461   7.454626   8.073525   7.085711
    27  H    2.148679   3.098639   6.263115   7.308736   6.534866
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.701813   0.000000
    13  H    8.035704   1.772227   0.000000
    14  H    5.022017   2.794317   3.733401   0.000000
    15  H    6.331662   3.073071   2.499579   3.063722   0.000000
    16  H    6.536597   2.499230   2.964733   2.466744   1.768644
    17  H    6.433862   3.779022   2.675564   3.834076   2.485586
    18  H    7.387504   3.668237   2.712624   4.307959   3.808769
    19  H    5.749263   4.324494   3.768042   3.733557   3.784450
    20  H    5.934941   3.734622   4.237798   2.935900   4.771120
    21  H    7.537521   2.991324   3.346067   3.672361   4.797335
    22  H    6.731166   2.506421   3.660005   2.423522   4.512715
    23  H    4.117478   4.658427   4.315154   3.080756   2.616319
    24  H    2.677742   5.201626   5.863405   2.428911   4.533346
    25  H    1.093427   7.752028   8.241184   5.011174   6.431395
    26  H    1.087156   8.648442   8.849264   6.029909   7.056903
    27  H    1.093428   7.731494   8.186471   5.034303   6.760701
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.926545   0.000000
    18  H    4.830284   1.761923   0.000000
    19  H    4.832687   1.764227   1.767329   0.000000
    20  H    4.905057   3.775343   3.109742   2.578557   0.000000
    21  H    4.928437   3.757658   2.535200   3.105761   1.766182
    22  H    4.081484   4.319820   3.742864   3.776787   1.768433
    23  H    3.666026   2.483172   3.890505   2.685834   4.089749
    24  H    4.325271   4.957069   5.690443   4.389414   3.902745
    25  H    6.383839   6.921984   7.931366   6.396638   6.373172
    26  H    7.413890   7.041849   8.061356   6.371093   6.812665
    27  H    6.882617   6.648078   7.358268   5.705097   5.533812
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.767148   0.000000
    23  H    4.960321   4.713235   0.000000
    24  H    5.343058   4.242180   3.046122   0.000000
    25  H    7.923140   6.907627   4.537468   2.677235   0.000000
    26  H    8.414378   7.723422   4.726272   3.740781   1.784191
    27  H    7.232737   6.421754   4.542471   2.671398   1.756392
                   26         27
    26  H    0.000000
    27  H    1.784298   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.01D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1966492           0.4951118           0.4859240
 Leave Link  202 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       607.0736928418 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               5.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.89D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 11:07:41 2021, MaxMem=  5637144576 cpu:              20.6 elap:               3.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:41 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:44 2021, MaxMem=  5637144576 cpu:              18.1 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636859583 LenY=  5636720013
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.239095034419    
 DIIS: error= 3.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.239095034419     IErMin= 1 ErrMin= 3.78D-03
 ErrMax= 3.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-02 BMatP= 1.66D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 GapD=    0.378 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.35D-03 MaxDP=4.91D-01              OVMax= 2.27D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.10D-03    CP:  1.10D+00
 E= -465.257052346971     Delta-E=       -0.017957312551 Rises=F Damp=F
 DIIS: error= 1.13D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.257052346971     IErMin= 2 ErrMin= 1.13D-03
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.51D-04 BMatP= 1.66D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.13D-02
 Coeff-Com: -0.300D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.296D-01 0.103D+01
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=1.66D-03 MaxDP=1.13D-01 DE=-1.80D-02 OVMax= 1.14D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.57D-04    CP:  1.13D+00  1.15D+00
 E= -465.257571200020     Delta-E=       -0.000518853049 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.257571200020     IErMin= 2 ErrMin= 1.13D-03
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-04 BMatP= 7.51D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.18D-02
 Coeff-Com: -0.654D-01 0.538D+00 0.527D+00
 Coeff-En:   0.000D+00 0.135D+00 0.865D+00
 Coeff:     -0.646D-01 0.534D+00 0.531D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=2.00D-04 MaxDP=1.59D-02 DE=-5.19D-04 OVMax= 5.91D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.43D-04    CP:  1.13D+00  1.17D+00  1.02D+00
 E= -465.258084294171     Delta-E=       -0.000513094151 Rises=F Damp=F
 DIIS: error= 1.83D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.258084294171     IErMin= 4 ErrMin= 1.83D-04
 ErrMax= 1.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-05 BMatP= 7.51D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.83D-03
 Coeff-Com: -0.147D-01 0.362D-01 0.162D+00 0.817D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.146D-01 0.361D-01 0.161D+00 0.817D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=7.52D-05 MaxDP=2.24D-03 DE=-5.13D-04 OVMax= 1.39D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.65D-05    CP:  1.13D+00  1.17D+00  1.05D+00  1.07D+00
 E= -465.258111063409     Delta-E=       -0.000026769238 Rises=F Damp=F
 DIIS: error= 6.28D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.258111063409     IErMin= 5 ErrMin= 6.28D-05
 ErrMax= 6.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-06 BMatP= 2.76D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.255D-02-0.464D-01-0.106D-01 0.259D+00 0.795D+00
 Coeff:      0.255D-02-0.464D-01-0.106D-01 0.259D+00 0.795D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=2.73D-05 MaxDP=9.30D-04 DE=-2.68D-05 OVMax= 6.30D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.07D-05    CP:  1.13D+00  1.17D+00  1.07D+00  1.08D+00  1.01D+00
 E= -465.258114372912     Delta-E=       -0.000003309504 Rises=F Damp=F
 DIIS: error= 1.86D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.258114372912     IErMin= 6 ErrMin= 1.86D-05
 ErrMax= 1.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-07 BMatP= 2.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-02-0.170D-01-0.127D-01 0.351D-01 0.248D+00 0.745D+00
 Coeff:      0.169D-02-0.170D-01-0.127D-01 0.351D-01 0.248D+00 0.745D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=7.20D-06 MaxDP=2.05D-04 DE=-3.31D-06 OVMax= 3.40D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.71D-06    CP:  1.13D+00  1.17D+00  1.07D+00  1.09D+00  1.05D+00
                    CP:  1.03D+00
 E= -465.258114673982     Delta-E=       -0.000000301070 Rises=F Damp=F
 DIIS: error= 6.12D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.258114673982     IErMin= 7 ErrMin= 6.12D-06
 ErrMax= 6.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-08 BMatP= 2.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-03 0.132D-02-0.213D-02-0.289D-01-0.480D-01 0.266D+00
 Coeff-Com:  0.811D+00
 Coeff:      0.163D-03 0.132D-02-0.213D-02-0.289D-01-0.480D-01 0.266D+00
 Coeff:      0.811D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=3.64D-06 MaxDP=1.93D-04 DE=-3.01D-07 OVMax= 1.18D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.56D-06    CP:  1.13D+00  1.17D+00  1.07D+00  1.09D+00  1.06D+00
                    CP:  1.11D+00  1.00D+00
 E= -465.258114741943     Delta-E=       -0.000000067961 Rises=F Damp=F
 DIIS: error= 1.88D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.258114741943     IErMin= 8 ErrMin= 1.88D-06
 ErrMax= 1.88D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-09 BMatP= 4.03D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-03 0.204D-02 0.167D-02-0.756D-02-0.360D-01-0.475D-01
 Coeff-Com:  0.514D-01 0.104D+01
 Coeff:     -0.165D-03 0.204D-02 0.167D-02-0.756D-02-0.360D-01-0.475D-01
 Coeff:      0.514D-01 0.104D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.21D-06 MaxDP=4.69D-05 DE=-6.80D-08 OVMax= 6.57D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.23D-07    CP:  1.13D+00  1.17D+00  1.07D+00  1.09D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.21D+00
 E= -465.258114748745     Delta-E=       -0.000000006802 Rises=F Damp=F
 DIIS: error= 4.10D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.258114748745     IErMin= 9 ErrMin= 4.10D-07
 ErrMax= 4.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-10 BMatP= 1.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.458D-04 0.306D-03 0.597D-03 0.653D-03-0.382D-02-0.226D-01
 Coeff-Com: -0.631D-01 0.214D+00 0.874D+00
 Coeff:     -0.458D-04 0.306D-03 0.597D-03 0.653D-03-0.382D-02-0.226D-01
 Coeff:     -0.631D-01 0.214D+00 0.874D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=3.58D-07 MaxDP=2.30D-05 DE=-6.80D-09 OVMax= 1.69D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.43D-07    CP:  1.13D+00  1.17D+00  1.07D+00  1.09D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.30D+00  1.05D+00
 E= -465.258114749310     Delta-E=       -0.000000000565 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.258114749310     IErMin=10 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-11 BMatP= 2.59D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.144D-04-0.240D-03-0.892D-04 0.115D-02 0.415D-02 0.553D-02
 Coeff-Com: -0.268D-01-0.101D+00 0.162D+00 0.956D+00
 Coeff:      0.144D-04-0.240D-03-0.892D-04 0.115D-02 0.415D-02 0.553D-02
 Coeff:     -0.268D-01-0.101D+00 0.162D+00 0.956D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.78D-07 MaxDP=1.01D-05 DE=-5.65D-10 OVMax= 7.22D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  1.13D+00  1.17D+00  1.07D+00  1.09D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.33D+00  1.13D+00  1.24D+00
 E= -465.258114749396     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 5.74D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.258114749396     IErMin=11 ErrMin= 5.74D-08
 ErrMax= 5.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-12 BMatP= 3.94D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.698D-05-0.708D-04-0.622D-04 0.127D-03 0.101D-02 0.417D-02
 Coeff-Com: -0.476D-03-0.352D-01-0.634D-01 0.147D+00 0.947D+00
 Coeff:      0.698D-05-0.708D-04-0.622D-04 0.127D-03 0.101D-02 0.417D-02
 Coeff:     -0.476D-03-0.352D-01-0.634D-01 0.147D+00 0.947D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=5.76D-08 MaxDP=3.16D-06 DE=-8.66D-11 OVMax= 2.13D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.39D-08    CP:  1.13D+00  1.17D+00  1.07D+00  1.09D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.33D+00  1.15D+00  1.35D+00
                    CP:  1.26D+00
 E= -465.258114749419     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 2.18D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.258114749419     IErMin=12 ErrMin= 2.18D-08
 ErrMax= 2.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.08D-13 BMatP= 3.91D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.629D-06 0.176D-04 0.373D-05-0.128D-03-0.370D-03 0.408D-03
 Coeff-Com:  0.264D-02 0.788D-02-0.340D-01-0.983D-01 0.201D+00 0.921D+00
 Coeff:     -0.629D-06 0.176D-04 0.373D-05-0.128D-03-0.370D-03 0.408D-03
 Coeff:      0.264D-02 0.788D-02-0.340D-01-0.983D-01 0.201D+00 0.921D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=2.36D-08 MaxDP=1.88D-06 DE=-2.27D-11 OVMax= 6.66D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  1.13D+00  1.17D+00  1.07D+00  1.09D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.33D+00  1.15D+00  1.38D+00
                    CP:  1.40D+00  1.19D+00
 E= -465.258114749386     Delta-E=        0.000000000033 Rises=F Damp=F
 DIIS: error= 6.42D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.258114749419     IErMin=13 ErrMin= 6.42D-09
 ErrMax= 6.42D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-14 BMatP= 5.08D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.823D-06 0.116D-04 0.815D-05-0.505D-04-0.201D-03-0.267D-03
 Coeff-Com:  0.528D-03 0.581D-02-0.283D-02-0.411D-01-0.457D-01 0.239D+00
 Coeff-Com:  0.844D+00
 Coeff:     -0.823D-06 0.116D-04 0.815D-05-0.505D-04-0.201D-03-0.267D-03
 Coeff:      0.528D-03 0.581D-02-0.283D-02-0.411D-01-0.457D-01 0.239D+00
 Coeff:      0.844D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=6.32D-09 MaxDP=3.49D-07 DE= 3.30D-11 OVMax= 1.76D-07

 SCF Done:  E(RM11) =  -465.258114749     A.U. after   13 cycles
            NFock= 13  Conv=0.63D-08     -V/T= 2.0124
 KE= 4.595463178328D+02 PE=-2.291613923175D+03 EE= 7.597357977514D+02
 Leave Link  502 at Fri Aug 13 11:13:45 2021, MaxMem=  5637144576 cpu:            2860.4 elap:             360.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.49351542D+02

 Leave Link  801 at Fri Aug 13 11:13:46 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 4.76D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.47D-01 5.68D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.66D-02 9.41D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.91D-03 1.53D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.28D-04 2.34D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 2.14D-05 6.66D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 9.20D-07 1.85D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.87D-08 3.23D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 7.20D-10 5.64D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.95D-11 6.63D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 4.65D-13 8.28D-08.
      4 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.21D-14 1.09D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.169207D+03
      2  0.548067D+01  0.108578D+03
      3 -0.279089D+01 -0.282406D+01  0.113105D+03
 Isotropic polarizability for W=    0.085645      130.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.772432D+02  0.257531D+02 -0.507692D+00
      2  -0.645442D+02  0.369877D+00  0.312676D+01
      3  -0.126991D+02 -0.261230D+02 -0.261907D+01
      4   0.341956D+02 -0.945670D+02 -0.329780D+02
      5  -0.219551D+02 -0.324050D+02 -0.133291D+02
      6  -0.148332D+02 -0.254395D+02  0.947909D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.471711D+01 -0.667885D+01 -0.673496D+01
      2   0.310205D+02 -0.109308D+02 -0.708663D+01
      3  -0.234325D+02  0.393769D+02  0.146638D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.573014D+00 -0.285662D+02 -0.356020D+02
      2   0.214474D+02 -0.181448D+02 -0.630016D+00
      3   0.844255D+01  0.300228D+02  0.175718D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.200975D+01 -0.697525D+01  0.414692D+01
      2  -0.697525D+01  0.437143D+00 -0.439846D+01
      3   0.414692D+01 -0.439846D+01 -0.343101D+01
 OR G Eigenvalues:    -6.3742    -5.4055    10.7957  Iso=     0.3280
 Eigenvectors:
   (1)   0.205295   0.670572   0.712872
   (2)   0.705432   0.403502  -0.582711
   (3)   0.678395  -0.622510   0.390206
 w=    0.085645 a.u., Optical Rotation Beta=      0.3280 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      102.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 5.35D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.61D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.26D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.74D-02 6.70D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 5.10D-03 2.15D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 6.37D-05 1.03D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.20D-06 9.46D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.44D-08 1.98D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 3.20D-10 2.35D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 3.49D-12 1.78D-07.
     21 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 2.91D-14 1.39D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   261 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.97D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169207D+03  0.548067D+01 -0.279089D+01
      2   0.548067D+01  0.108578D+03 -0.282406D+01
      3  -0.279089D+01 -0.282406D+01  0.113105D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.471711D+01 -0.667885D+01 -0.673496D+01
      2   0.310205D+02 -0.109308D+02 -0.708663D+01
      3  -0.234325D+02  0.393769D+02  0.146638D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.772432D+02  0.257531D+02 -0.507692D+00
      2  -0.645442D+02  0.369877D+00  0.312676D+01
      3  -0.126991D+02 -0.261230D+02 -0.261907D+01
      4   0.341956D+02 -0.945670D+02 -0.329780D+02
      5  -0.219551D+02 -0.324050D+02 -0.133291D+02
      6  -0.148332D+02 -0.254395D+02  0.947909D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.345137D+01 -0.439991D+01 -0.427724D+01 -0.476911D+01 -0.162757D+01
      2  -0.439991D+01 -0.174663D+01  0.879245D+00 -0.162757D+01  0.155542D+01
      3  -0.427724D+01  0.879245D+00  0.153188D+01  0.111060D+01 -0.375431D+01
                 6             7             8             9            10 
      1   0.111060D+01 -0.344220D+01  0.113272D+01  0.137672D+01 -0.212460D+02
      2  -0.375431D+01  0.113272D+01 -0.325186D+01  0.595956D+00  0.692376D+01
      3   0.805711D+00  0.137672D+01  0.595956D+00  0.301219D+01  0.377329D+01
                11            12            13            14            15 
      1   0.692376D+01  0.377329D+01  0.103237D+02 -0.520080D+00 -0.134793D+01
      2   0.159780D+01 -0.650203D+00 -0.520080D+00  0.116182D+01  0.298137D+01
      3  -0.650203D+00 -0.162255D+01 -0.134793D+01  0.298137D+01  0.165485D-01
                16            17            18            19            20 
      1   0.134237D+02 -0.182295D+01 -0.237632D+01  0.465557D+02  0.810464D-01
      2  -0.182295D+01  0.378708D+01  0.485939D+00  0.810464D-01  0.394954D+01
      3  -0.237632D+01  0.485939D+00 -0.435963D+01 -0.876861D+00  0.111995D+01
                21            22            23            24            25 
      1  -0.876861D+00 -0.380463D+01  0.933725D+01  0.294902D+01 -0.337066D+01
      2   0.111995D+01  0.933725D+01  0.140884D+01 -0.617599D+00  0.252271D+01
      3   0.567230D+00  0.294902D+01 -0.617599D+00 -0.273245D+01  0.119718D+01
                26            27            28            29            30 
      1   0.252271D+01  0.119718D+01 -0.642786D+02 -0.357508D+01  0.358443D+00
      2  -0.100576D+01 -0.243180D+01 -0.357508D+01 -0.364132D+01 -0.741906D+00
      3  -0.243180D+01  0.476289D+01  0.358443D+00 -0.741906D+00 -0.159788D+01
                31            32            33            34            35 
      1  -0.111427D+02 -0.616533D+01 -0.163895D+01  0.908507D+01 -0.343250D+00
      2  -0.616533D+01 -0.328276D+01 -0.393612D+00 -0.343250D+00  0.770367D+00
      3  -0.163895D+01 -0.393612D+00  0.142367D+01 -0.218547D+01  0.176771D+01
                36            37            38            39            40 
      1  -0.218547D+01  0.596545D+02  0.333835D+01  0.287373D+01  0.128006D+02
      2   0.176771D+01  0.333835D+01  0.216904D+01  0.913260D+00  0.501030D+01
      3  -0.322679D+01  0.287373D+01  0.913260D+00  0.118444D+01  0.133045D+01
                41            42            43            44            45 
      1   0.501030D+01  0.133045D+01 -0.116882D+02 -0.301802D+00  0.379479D+01
      2   0.264004D+01 -0.492637D+00 -0.301802D+00 -0.162836D+01 -0.195819D+01
      3  -0.492637D+00 -0.190783D+01  0.379479D+01 -0.195819D+01  0.257741D+01
                46            47            48            49            50 
      1  -0.209763D+02 -0.890158D+00 -0.372125D+01  0.543066D+01  0.254386D+00
      2  -0.890158D+00  0.910965D+00 -0.243402D-01  0.254386D+00  0.727876D+00
      3  -0.372125D+01 -0.243402D-01  0.730748D+00  0.268427D+01 -0.958167D+00
                51            52            53            54            55 
      1   0.268427D+01 -0.252252D+02  0.780155D+00 -0.812764D+01  0.562125D+01
      2  -0.958167D+00  0.780155D+00  0.176238D+00  0.103513D+01 -0.803020D+00
      3   0.167886D+01 -0.812764D+01  0.103513D+01 -0.573221D+01  0.296214D+01
                56            57            58            59            60 
      1  -0.803020D+00  0.296214D+01 -0.836634D+01  0.191963D+01 -0.271117D+01
      2   0.387732D+00 -0.390142D+00  0.191963D+01 -0.205249D+01  0.293759D+01
      3  -0.390142D+00  0.106176D+01 -0.271117D+01  0.293759D+01 -0.172813D+01
                61            62            63            64            65 
      1   0.245463D+02 -0.458500D+00  0.932744D+01  0.664266D+01 -0.550289D+01
      2  -0.458500D+00  0.152677D+01 -0.143729D+01 -0.550289D+01 -0.136904D+01
      3   0.932744D+01 -0.143729D+01  0.108254D+02 -0.198415D+01  0.983041D+00
                66            67            68            69            70 
      1  -0.198415D+01 -0.559595D+01 -0.118531D+01  0.121903D+01 -0.490974D+01
      2   0.983041D+00 -0.118531D+01 -0.632166D+00 -0.252097D+01  0.148513D+01
      3   0.127132D+01  0.121903D+01 -0.252097D+01  0.101169D+01  0.167013D+01
                71            72            73            74            75 
      1   0.148513D+01  0.167013D+01  0.790421D+00  0.916490D+00 -0.110591D+01
      2  -0.288050D+01  0.144398D+00  0.916490D+00 -0.361364D+01 -0.181838D+01
      3   0.144398D+00  0.632970D+01 -0.110591D+01 -0.181838D+01  0.312851D+01
                76            77            78            79            80 
      1   0.155083D+01 -0.457877D+01 -0.272516D+01 -0.182648D+01 -0.260495D+01
      2  -0.457877D+01 -0.287566D+01 -0.112901D+01 -0.260495D+01 -0.149933D+01
      3  -0.272516D+01 -0.112901D+01 -0.634234D+00  0.446268D+01 -0.272003D+00
                81            82            83            84            85 
      1   0.446268D+01 -0.856906D+01 -0.694551D+01 -0.106291D+01 -0.804470D+01
      2  -0.272003D+00 -0.694551D+01 -0.199606D+01  0.935687D+00 -0.387882D+01
      3   0.212984D+01 -0.106291D+01  0.935687D+00 -0.572641D+00  0.573010D+00
                86            87            88            89            90 
      1  -0.387882D+01  0.573010D+00  0.535101D+01  0.206739D+01 -0.266250D+00
      2   0.121701D+01  0.122816D+01  0.206739D+01  0.219794D+01  0.459465D+01
      3   0.122816D+01  0.362988D+01 -0.266250D+00  0.459465D+01 -0.506984D+00
                91            92            93            94            95 
      1  -0.163435D+01  0.141826D+01 -0.436138D+01  0.276007D+01 -0.356476D+00
      2   0.141826D+01  0.979883D+00 -0.103787D+01 -0.356476D+00 -0.433444D+01
      3  -0.436138D+01 -0.103787D+01 -0.124440D+01 -0.929818D+00  0.344958D+01
                96            97            98            99           100 
      1  -0.929818D+00 -0.741658D+01 -0.105123D+01 -0.322133D+01 -0.476458D+01
      2   0.344958D+01 -0.105123D+01  0.278130D+01  0.113006D+01 -0.196070D+00
      3   0.163369D+01 -0.322133D+01  0.113006D+01  0.415460D+01 -0.263204D+01
               101           102           103           104           105 
      1  -0.196070D+00 -0.263204D+01  0.665920D+00 -0.549453D+00  0.676114D+00
      2  -0.417767D+00  0.120756D+00 -0.549453D+00  0.518365D+00 -0.718616D+00
      3   0.120756D+00 -0.243880D+01  0.676114D+00 -0.718616D+00  0.615355D+00
               106           107           108           109           110 
      1  -0.413240D+01  0.274401D+00 -0.407780D+01 -0.762900D+01 -0.200480D+01
      2   0.274401D+00 -0.136849D+01 -0.961288D-01 -0.200480D+01 -0.107523D+01
      3  -0.407780D+01 -0.961288D-01 -0.520024D+01  0.263169D+01  0.781839D+00
               111           112           113           114           115 
      1   0.263169D+01 -0.167432D+01 -0.144261D+01  0.894690D+00  0.493848D+01
      2   0.781839D+00 -0.144261D+01 -0.116321D+01  0.902375D+00  0.148169D+01
      3  -0.214863D+01  0.894690D+00  0.902375D+00 -0.590389D+00 -0.349775D+01
               116           117           118           119           120 
      1   0.148169D+01 -0.349775D+01  0.565150D+00  0.517658D+00 -0.993323D+00
      2   0.158224D+01 -0.857189D+00  0.517658D+00 -0.334849D+00 -0.203861D+00
      3  -0.857189D+00  0.268052D+01 -0.993323D+00 -0.203861D+00  0.332643D+00
               121           122           123           124           125 
      1   0.149712D+01 -0.694819D+00 -0.107584D+00 -0.961297D+00 -0.291182D-01
      2  -0.694819D+00  0.686451D+00 -0.105056D+01 -0.291182D-01 -0.139222D+01
      3  -0.107584D+00 -0.105056D+01  0.134051D+01 -0.203688D+00  0.929549D+00
               126           127           128           129           130 
      1  -0.203688D+00  0.796020D+00 -0.193935D+00  0.741870D+00  0.161512D+00
      2   0.929549D+00 -0.193935D+00  0.115371D+01 -0.526512D+00  0.407461D+00
      3  -0.688200D+01  0.741870D+00 -0.526512D+00  0.628406D+00 -0.249073D+00
               131           132           133           134           135 
      1   0.407461D+00 -0.249073D+00  0.130717D+01 -0.265124D+00  0.179257D+00
      2  -0.436836D+01  0.182576D+01 -0.265124D+00  0.326028D+01 -0.278660D+01
      3   0.182576D+01 -0.193571D+01  0.179257D+00 -0.278660D+01  0.349781D+01
               136           137           138           139           140 
      1   0.108963D+01 -0.510343D+00 -0.705400D+00  0.905528D+00 -0.701754D+00
      2  -0.510343D+00  0.304123D+00 -0.307913D-01 -0.701754D+00 -0.663431D+01
      3  -0.705400D+00 -0.307913D-01  0.766039D-01 -0.473938D+00 -0.331442D+01
               141           142           143           144           145 
      1  -0.473938D+00 -0.226399D+01 -0.113793D+01 -0.655573D+00  0.424156D+00
      2  -0.331442D+01 -0.113793D+01 -0.497396D+01 -0.414404D+01 -0.400715D+00
      3  -0.263023D+01 -0.655573D+00 -0.414404D+01 -0.402755D+01  0.104848D+01
               146           147           148           149           150 
      1  -0.400715D+00  0.104848D+01 -0.680893D+00  0.634545D+00 -0.107994D+00
      2   0.642534D+00 -0.315506D+00  0.634545D+00 -0.426380D+01  0.232538D+01
      3  -0.315506D+00  0.353028D+00 -0.107994D+00  0.232538D+01 -0.330861D+01
               151           152           153           154           155 
      1   0.797028D+00 -0.243813D+00  0.826702D-01 -0.655121D+01  0.245644D+01
      2  -0.243813D+00  0.196753D+01 -0.202265D+01  0.245644D+01 -0.164573D+01
      3   0.826702D-01 -0.202265D+01  0.291486D+01  0.366697D+01 -0.139435D+01
               156           157           158           159           160 
      1   0.366697D+01  0.205789D+01 -0.155681D+01 -0.126869D+01  0.194694D+01
      2  -0.139435D+01 -0.155681D+01  0.162414D+01  0.170083D+01 -0.970703D+00
      3  -0.352913D+01 -0.126869D+01  0.170083D+01  0.145901D+01 -0.251180D+01
               161           162           163           164           165 
      1  -0.970703D+00 -0.251180D+01  0.346998D+01  0.201909D+01  0.141732D+01
      2   0.104920D+01  0.111123D+01  0.201909D+01  0.229221D+01  0.107335D+01
      3   0.111123D+01  0.275245D+01  0.141732D+01  0.107335D+01  0.196018D+01
               166           167           168           169           170 
      1   0.189183D+01  0.160770D+01  0.542516D+00  0.595130D+00  0.433964D+00
      2   0.160770D+01  0.302795D+01  0.189151D+01  0.433964D+00  0.102245D+01
      3   0.542516D+00  0.189151D+01  0.176478D+01  0.872342D+00  0.977524D+00
               171           172           173           174           175 
      1   0.872342D+00  0.265440D+01  0.226499D+01  0.417720D+00  0.167865D+01
      2   0.977524D+00  0.226499D+01  0.407003D+01 -0.167281D+00  0.186506D+01
      3   0.127273D+01  0.417720D+00 -0.167281D+00  0.856388D+00 -0.392714D-02
               176           177           178           179           180 
      1   0.186506D+01 -0.392714D-02  0.812603D+00 -0.847165D-01  0.380365D+00
      2   0.545358D+01  0.261449D+00 -0.847165D-01  0.106295D+01  0.863605D+00
      3   0.261449D+00  0.643418D+00  0.380365D+00  0.863605D+00 -0.232431D+00
               181           182           183           184           185 
      1  -0.751357D+01  0.439781D+01  0.119851D+01  0.211471D+01 -0.270289D+01
      2   0.439781D+01 -0.325029D+01 -0.532579D+00 -0.270289D+01  0.321442D+01
      3   0.119851D+01 -0.532579D+00 -0.140866D+01 -0.658763D+00  0.798927D+00
               186           187           188           189           190 
      1  -0.658763D+00  0.294880D+01 -0.148852D+01 -0.151448D+01 -0.122900D+01
      2   0.798927D+00 -0.148852D+01  0.194142D+01  0.870520D+00  0.762131D+00
      3   0.449407D+00 -0.151448D+01  0.870520D+00  0.618744D+00 -0.103855D+01
               191           192           193           194           195 
      1   0.762131D+00 -0.103855D+01  0.223887D+00  0.480786D-01 -0.107580D+00
      2  -0.392599D-01  0.526395D-01  0.480786D-01 -0.178789D+00 -0.768890D+00
      3   0.526395D-01 -0.977659D+00 -0.107580D+00 -0.768890D+00 -0.340842D+00
               196           197           198           199           200 
      1  -0.130625D+01  0.404267D+00 -0.190340D+01 -0.164085D+01 -0.486449D+00
      2   0.404267D+00 -0.160179D+01  0.119708D+01 -0.486449D+00  0.460201D-01
      3  -0.190340D+01  0.119708D+01 -0.830116D+01  0.914299D+00 -0.636763D-01
               201           202           203           204           205 
      1   0.914299D+00 -0.114143D+01  0.901603D+00  0.314125D+00  0.169896D+01
      2  -0.636763D-01  0.901603D+00 -0.719601D+00  0.110472D+01  0.423519D+00
      3  -0.283433D-02  0.314125D+00  0.110472D+01 -0.127659D+01 -0.369895D+00
               206           207           208           209           210 
      1   0.423519D+00 -0.369895D+00  0.149380D+01  0.691665D+00 -0.124465D+01
      2   0.138128D+01 -0.123636D+01  0.691665D+00  0.410080D-01 -0.501538D-01
      3  -0.123636D+01  0.464914D+01 -0.124465D+01 -0.501538D-01 -0.265036D+00
               211           212           213           214           215 
      1   0.929527D+00 -0.182582D+00 -0.737672D+00 -0.179861D+01 -0.583794D+00
      2  -0.182582D+00  0.647432D+00 -0.100244D+01 -0.583794D+00 -0.137863D+01
      3  -0.737672D+00 -0.100244D+01  0.187662D+01  0.100417D+01  0.178104D+01
               216           217           218           219           220 
      1   0.100417D+01  0.247438D+01 -0.885994D+00 -0.696181D+00 -0.227338D+01
      2   0.178104D+01 -0.885994D+00  0.185404D+00  0.502486D+00  0.106160D+01
      3  -0.641257D+01 -0.696181D+00  0.502486D+00  0.820279D+00  0.133968D+01
               221           222           223           224           225 
      1   0.106160D+01  0.133968D+01 -0.312343D+01  0.346669D+00  0.316605D+01
      2  -0.150698D+01 -0.225274D+01  0.346669D+00 -0.213934D+01 -0.175413D+01
      3  -0.225274D+01 -0.278544D+01  0.316605D+01 -0.175413D+01 -0.668533D+01
               226           227           228           229           230 
      1   0.952048D+01  0.225576D+00  0.232710D+01 -0.540461D+00  0.129567D+01
      2   0.225576D+00  0.102700D+01  0.201312D+00  0.129567D+01  0.388883D+00
      3   0.232710D+01  0.201312D+00  0.155896D+01  0.147923D+00  0.162403D+00
               231           232           233           234           235 
      1   0.147923D+00  0.482568D+01  0.414003D+00  0.215580D+01  0.828737D+00
      2   0.162403D+00  0.414003D+00  0.613111D+00 -0.825270D-01  0.781609D+00
      3  -0.290300D+00  0.215580D+01 -0.825270D-01  0.163052D+01  0.368292D+00
               236           237           238           239           240 
      1   0.781609D+00  0.368292D+00  0.304149D+01  0.179999D+01 -0.713172D+00
      2  -0.627197D+00  0.383978D+00  0.179999D+01  0.774034D+01 -0.259610D+01
      3   0.383978D+00 -0.254152D+00 -0.713172D+00 -0.259610D+01  0.181161D+01
               241           242           243 
      1  -0.811846D+00 -0.380234D+00  0.124182D+01
      2  -0.380234D+00 -0.199991D+01  0.159451D+01
      3   0.124182D+01  0.159451D+01 -0.224190D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.583030D+01 -0.443502D+01  0.118446D+01 -0.378218D+01  0.669434D+01
      2   0.606610D+01  0.777319D+01  0.912702D+01  0.644249D+01  0.117971D+02
      3  -0.796555D+01 -0.916163D+01 -0.156868D+01 -0.420382D+01  0.121088D+01
                 6             7             8             9            10 
      1  -0.131397D+02  0.231164D+00 -0.593421D+01  0.734498D+00 -0.205355D+01
      2  -0.384255D+01  0.200964D+01 -0.254136D+01 -0.808457D+01 -0.192180D+02
      3  -0.615746D+01 -0.364851D+00 -0.601080D+01  0.190873D+01  0.159457D+02
                11            12            13            14            15 
      1   0.249091D+01  0.110992D+01  0.447959D+01 -0.503101D+01 -0.383034D+01
      2   0.151483D+01  0.773820D+01  0.297970D+01 -0.948938D+01 -0.752129D+00
      3   0.470051D+01  0.262435D+01  0.156499D+02  0.690096D+01  0.650755D+01
                16            17            18            19            20 
      1   0.200738D+01  0.704652D+01  0.333855D+01  0.100489D-01 -0.161162D+01
      2   0.702029D+01 -0.105041D+01  0.969195D+01  0.262569D+02  0.943939D+00
      3  -0.381956D+01  0.703981D+01 -0.185905D+00 -0.214708D+02 -0.719089D+01
                21            22            23            24            25 
      1  -0.111434D+01 -0.811796D+01 -0.269728D+01 -0.315312D+01 -0.291311D+01
      2   0.250664D+01 -0.197969D+01  0.676014D+01  0.463949D+01 -0.148591D+02
      3  -0.531916D+00  0.202872D+01 -0.675595D+01 -0.200586D+01 -0.256904D+00
                26            27            28            29            30 
      1   0.200936D+01  0.508787D+01  0.398546D+01 -0.322450D+00  0.161605D+00
      2   0.329147D+01 -0.292485D+01 -0.363672D+02 -0.411766D+01 -0.316761D+01
      3  -0.287117D+01 -0.185428D+01  0.185321D+02  0.739209D+01  0.126247D+01
                31            32            33            34            35 
      1   0.361512D+01  0.258094D+01 -0.252714D+01  0.220200D+01  0.199933D+00
      2  -0.121857D+02 -0.379039D+01 -0.119961D+01 -0.133562D+02 -0.151656D+01
      3   0.332084D+02  0.671594D+01  0.178325D+00  0.258842D+01  0.790155D+00
                36            37            38            39            40 
      1  -0.422965D+01 -0.293960D+01 -0.919045D+00 -0.718237D+00 -0.747833D+01
      2  -0.135053D+01  0.439765D+02  0.352362D+01  0.124784D+02  0.140616D+02
      3  -0.159932D-01 -0.150279D+02 -0.116486D+02 -0.170424D+01 -0.888318D+01
                41            42            43            44            45 
      1  -0.299886D+00 -0.484858D+01  0.149901D+01  0.981406D-01 -0.857401D+00
      2   0.316473D+01 -0.176125D+01 -0.127479D+02 -0.372857D+01  0.631863D+01
      3  -0.628939D+01  0.781998D+00 -0.121458D+01 -0.107735D+01  0.152415D+01
                46            47            48            49            50 
      1   0.171186D+00  0.241391D+01  0.250905D+01 -0.530713D+01  0.403755D+01
      2  -0.136738D+02 -0.380476D+01 -0.357029D+01  0.485432D+01 -0.262329D+01
      3   0.387269D+00  0.122938D+02  0.552722D+01  0.251488D+02  0.124964D+01
                51            52            53            54            55 
      1  -0.675678D+01  0.253472D+01 -0.385687D+01 -0.258493D+01  0.117816D+01
      2   0.705379D+01 -0.481666D+02  0.539075D+00 -0.272778D+02  0.354150D+01
      3   0.206162D+01  0.536744D+01  0.968500D+01 -0.162038D+01  0.702638D+00
                56            57            58            59            60 
      1  -0.753096D+00 -0.543733D+00 -0.197401D+00 -0.292110D+01 -0.181027D+01
      2  -0.733564D+00  0.703307D+01 -0.823041D+01  0.863782D+01 -0.905898D+01
      3  -0.760160D+01 -0.238243D+00 -0.715166D+01  0.678781D+01 -0.780578D+01
                61            62            63            64            65 
      1  -0.166314D+01  0.880666D+01  0.608021D+00  0.846347D+01 -0.174162D+01
      2   0.283257D+02 -0.434454D+01  0.432694D+02  0.873753D+01 -0.677930D+01
      3  -0.397732D+01 -0.133149D+02  0.327767D+01 -0.969607D+01 -0.200339D+02
                66            67            68            69            70 
      1  -0.394679D+01 -0.210963D+01  0.762224D+01 -0.186966D+01 -0.678421D+01
      2  -0.220833D+01 -0.617975D+01  0.530627D+01 -0.151995D+01 -0.939991D+01
      3  -0.168005D+01 -0.102506D+02 -0.642328D+01 -0.419140D+01 -0.889478D-01
                71            72            73            74            75 
      1   0.495622D+01 -0.155558D+02 -0.480444D+00 -0.191030D+01  0.371074D+01
      2   0.799404D+00 -0.149251D+02  0.485581D+01  0.803006D+01 -0.997314D+01
      3  -0.446557D+01  0.371145D+01  0.523773D+01 -0.211561D+02 -0.758877D+01
                76            77            78            79            80 
      1  -0.184505D+01 -0.479729D+00 -0.263266D+01  0.542335D+01  0.207203D+01
      2   0.108737D+02  0.263674D+01  0.662827D+00 -0.226567D+02 -0.159141D+01
      3  -0.146039D+02 -0.498482D+01 -0.234151D+01 -0.901477D+01 -0.144713D+01
                81            82            83            84            85 
      1   0.216799D+01  0.197014D+01  0.450235D+01 -0.208224D+01  0.587673D+01
      2  -0.543988D+01 -0.499666D+01 -0.660315D+01  0.258086D+01 -0.875947D+01
      3  -0.510040D+01 -0.663377D+01  0.771851D+01  0.267421D+01  0.196115D+02
                86            87            88            89            90 
      1   0.460045D+01  0.672267D+01 -0.241217D+01  0.156337D+02 -0.331791D+01
      2  -0.483994D+01 -0.563616D+01  0.133505D+00 -0.635123D+01  0.131091D+01
      3   0.819811D+01 -0.488883D-01  0.349288D+01 -0.395062D+00  0.967211D+01
                91            92            93            94            95 
      1   0.689079D+00 -0.231253D+01  0.983406D+00  0.564870D+01  0.276535D+01
      2  -0.191275D+02 -0.256854D+01 -0.473583D+01 -0.319035D+01  0.147714D+02
      3  -0.727301D+01 -0.110319D+02  0.216681D+01  0.121981D+02  0.204648D+02
                96            97            98            99           100 
      1  -0.833092D+01  0.457328D+01 -0.413915D+00 -0.393922D+01 -0.212401D+01
      2   0.824495D+01 -0.230978D+02  0.376636D+01  0.151887D+02  0.597253D+01
      3  -0.199376D+02  0.420374D+01 -0.107380D+02 -0.761431D+01  0.357491D+01
               101           102           103           104           105 
      1   0.107227D+01 -0.215097D+01  0.729211D+00 -0.122126D+01  0.516103D-01
      2  -0.792985D+00  0.887380D+01 -0.207437D+01  0.219052D+01 -0.199637D+01
      3  -0.241934D+01  0.290324D+01 -0.460482D+00  0.294003D+01 -0.296815D+01
               106           107           108           109           110 
      1  -0.353903D+01  0.289487D+01 -0.453454D+01  0.287361D+01 -0.104449D+00
      2   0.966444D+01  0.928297D-01  0.166650D+02 -0.101513D+02 -0.307272D+01
      3   0.477484D+01 -0.604550D+01  0.343273D+01  0.107639D+01 -0.430244D+01
               111           112           113           114           115 
      1  -0.268901D+01  0.145114D+01  0.633199D+00 -0.165125D+01 -0.326369D+01
      2   0.104233D+02 -0.360828D+01 -0.348210D+01  0.268155D+01  0.114477D+02
      3   0.109929D+00 -0.778885D+00 -0.277155D+01  0.222308D+01  0.513985D+00
               116           117           118           119           120 
      1   0.708307D+00  0.320981D+01 -0.116926D+01  0.177334D+00  0.153197D+00
      2   0.293905D+01 -0.115914D+02  0.296461D+01  0.688887D+00  0.103061D+00
      3   0.558218D+01  0.550976D+00  0.306398D+00 -0.105955D+01  0.444177D+00
               121           122           123           124           125 
      1  -0.106062D+01 -0.194859D+01  0.540307D+00 -0.553554D+00  0.418908D+01
      2   0.124777D+01  0.117065D+00 -0.162156D+01 -0.382469D+01 -0.875447D+00
      3   0.218845D+01  0.489616D+00 -0.498433D+00  0.516964D+00 -0.954930D+00
               126           127           128           129           130 
      1  -0.384516D+01  0.222542D+01 -0.144972D+01  0.226196D+01 -0.109765D+01
      2   0.653698D+01 -0.119398D+01  0.115666D+01 -0.986668D-02  0.155729D+01
      3   0.111652D+01 -0.256526D+01  0.115504D+01 -0.288799D+01  0.224727D+01
               131           132           133           134           135 
      1   0.501429D+01 -0.671476D+01  0.877978D+00 -0.564013D+01  0.112286D+02
      2  -0.293456D+01  0.305369D+01 -0.177219D+01  0.467062D+01 -0.586485D+01
      3  -0.868467D+01  0.409806D+01 -0.475530D+01  0.644787D+01 -0.625340D+01
               136           137           138           139           140 
      1  -0.162327D+01 -0.520185D+00  0.304073D+00 -0.592055D+00 -0.250065D+01
      2   0.195235D+01 -0.164198D+00  0.295513D+00  0.130889D+00  0.534149D+01
      3  -0.152304D+01  0.601878D+00  0.141082D+01  0.172673D+01 -0.114418D+02
               141           142           143           144           145 
      1  -0.624199D+01  0.106762D-01 -0.444375D+01 -0.758395D+01 -0.154664D+01
      2   0.452439D+01 -0.227159D+01  0.650956D+01  0.660060D+01 -0.415073D+01
      3  -0.538679D+01  0.264332D+01 -0.758026D+01 -0.713292D+01 -0.735383D+00
               146           147           148           149           150 
      1   0.235385D+01 -0.710696D+00  0.208262D+01 -0.130420D+02  0.418443D+01
      2   0.183995D+01 -0.188735D+01  0.353664D+01 -0.662528D+01  0.689344D+01
      3   0.392142D+00 -0.277658D-01  0.282282D+01 -0.704994D+01  0.379442D+01
               151           152           153           154           155 
      1  -0.742772D+00  0.676371D+01 -0.502991D+01  0.212877D+01 -0.319001D+01
      2  -0.351541D+01  0.483181D+01 -0.580813D+01  0.503272D+01 -0.154247D+01
      3  -0.681316D+00  0.304696D+01 -0.342913D+01  0.476382D+00 -0.381534D+01
               156           157           158           159           160 
      1   0.722414D+00 -0.196710D+01  0.200337D+01  0.799892D+00 -0.575900D+00
      2   0.341216D+01 -0.263251D+01 -0.105408D+01 -0.135029D+01 -0.195543D+01
      3  -0.667213D+00 -0.602007D+00  0.296475D+01  0.254991D+01  0.253814D+00
               161           162           163           164           165 
      1   0.279853D+01 -0.360329D+00  0.280928D+01  0.449262D+01 -0.711527D+00
      2  -0.578399D-01 -0.147766D+01 -0.127082D+02 -0.692628D+01 -0.521465D+01
      3   0.213496D+01  0.461622D+00  0.872962D+01  0.460796D+01  0.317671D+01
               166           167           168           169           170 
      1   0.284059D+01  0.449706D+01  0.351494D+00  0.755026D-01  0.266556D+01
      2  -0.657603D+01 -0.773021D+01 -0.377961D+01 -0.495338D+01 -0.319300D+01
      3   0.670472D+01  0.626274D+01  0.404597D+01  0.155722D+01  0.193496D+01
               171           172           173           174           175 
      1   0.721475D+00 -0.249424D+01 -0.183351D+01 -0.318651D+01 -0.138758D+01
      2  -0.413093D+01  0.130557D+01  0.198337D+01 -0.660170D-03  0.146320D+01
      3   0.296184D+01  0.155518D+02  0.140614D+02  0.781353D+00  0.111997D+02
               176           177           178           179           180 
      1  -0.374725D+01 -0.348280D+01 -0.989039D+00 -0.107197D+01 -0.156098D-01
      2   0.109504D+01 -0.537153D+00 -0.131741D+01 -0.177729D+01  0.795197D+00
      3   0.181098D+02  0.753625D+00  0.165888D+01  0.237331D+01  0.311380D+01
               181           182           183           184           185 
      1  -0.520765D+01  0.278436D+01  0.470304D+01  0.322965D+01 -0.351409D+01
      2  -0.688142D+01  0.375259D+01  0.681418D+01  0.303282D+01 -0.367582D+01
      3  -0.347594D+01 -0.251213D+01  0.141142D+01  0.183095D+01  0.390437D+01
               186           187           188           189           190 
      1  -0.289013D+01  0.370942D+01 -0.137870D+01 -0.211067D+01  0.149348D+01
      2  -0.252113D+01  0.444525D+01 -0.266229D+01 -0.295468D+01  0.166024D+01
      3   0.764809D+00  0.726910D+00  0.326137D+01 -0.663022D+00  0.442733D+00
               191           192           193           194           195 
      1   0.152534D+00  0.223842D+01 -0.162170D+00  0.221668D+01  0.349524D+00
      2   0.222121D+00  0.245193D+01  0.599263D-01  0.194529D+01  0.814755D+00
      3   0.389204D+00 -0.171652D+01  0.107509D+01 -0.467758D+00 -0.190787D+01
               196           197           198           199           200 
      1   0.355817D+01  0.250197D+01  0.175849D+02  0.647209D-01  0.519201D+00
      2   0.712356D+00 -0.234972D+01  0.192869D+02 -0.357335D+00 -0.463363D+00
      3  -0.189339D+01 -0.388217D+01  0.427025D+00  0.115380D+01 -0.410870D-01
               201           202           203           204           205 
      1  -0.248209D+00  0.525384D+01 -0.211822D-02 -0.148345D+01  0.102480D+01
      2  -0.556936D+00  0.163776D+01  0.158728D+01  0.775682D-01 -0.401874D+01
      3  -0.573414D+00  0.120266D+01  0.344562D+00 -0.801865D+00 -0.220615D+01
               206           207           208           209           210 
      1   0.252755D+01  0.393296D+01 -0.166216D+01  0.357152D-01  0.325472D-01
      2   0.662356D+00  0.318304D+01 -0.137815D+01  0.521963D+00 -0.103835D+01
      3  -0.144414D+01  0.311737D+00 -0.304629D+01 -0.598556D+00  0.537580D-02
               211           212           213           214           215 
      1   0.631953D+01 -0.619011D+00 -0.377108D-01  0.234563D+01  0.429829D+01
      2  -0.152467D+01 -0.217316D+01  0.302703D+01 -0.301702D+01  0.274235D+01
      3   0.964182D+01 -0.366843D+00  0.196226D+01  0.333926D+01  0.331596D+01
               216           217           218           219           220 
      1  -0.309426D+00  0.444487D+00 -0.510870D+00 -0.737182D+00 -0.224173D+01
      2  -0.105825D+02 -0.664767D+00  0.139385D+01  0.380729D+01  0.386573D+01
      3  -0.354837D+01  0.207134D+01 -0.252660D+01 -0.194236D+01 -0.715993D+01
               221           222           223           224           225 
      1   0.296438D+01  0.263105D+01 -0.256815D+01  0.424675D+01  0.501212D+01
      2  -0.887271D+01 -0.116600D+02  0.897278D+01 -0.750081D+01 -0.264185D+02
      3   0.689164D+01  0.114924D+02 -0.426557D+01  0.919441D+01  0.106618D+02
               226           227           228           229           230 
      1  -0.152237D+01 -0.820078D-01 -0.102550D+01 -0.880386D+00 -0.379101D+00
      2   0.165629D+02  0.901611D+00  0.107749D+02  0.323351D+00  0.120673D+01
      3   0.320091D+01 -0.613447D+01  0.462458D+00 -0.373024D+01 -0.867755D+00
               231           232           233           234           235 
      1  -0.526457D+00 -0.126141D+01  0.819719D+00 -0.751837D+00  0.146171D+00
      2  -0.116982D+01  0.103588D+02 -0.355839D+00  0.935669D+01  0.586671D+00
      3  -0.910873D+00  0.370062D+00 -0.325343D+01  0.123719D+01 -0.719049D+00
               236           237           238           239           240 
      1   0.701373D+00 -0.209882D+00 -0.190261D+01 -0.581872D+01 -0.259093D+00
      2   0.191426D+01  0.498506D+00  0.874130D+00 -0.926671D+01  0.673309D+01
      3   0.362215D+01 -0.242488D+01 -0.604294D+01 -0.345889D+02  0.123521D+02
               241           242           243 
      1  -0.646219D-01  0.180206D+01 -0.899119D-02
      2   0.322158D+01  0.630835D+01 -0.797607D+01
      3   0.530903D+00  0.867349D+01 -0.695126D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.126140D+01  0.176949D+02  0.165606D+02  0.164070D+02  0.126571D+02
      2   0.251962D+01 -0.146900D+02 -0.122120D+02 -0.137557D+02  0.420894D+01
      3  -0.378102D+01 -0.300495D+01 -0.434860D+01 -0.265134D+01 -0.168661D+02
      4   0.195058D+02 -0.249113D+01 -0.115566D+02 -0.124412D+01 -0.940653D+01
      5   0.243089D+02 -0.174112D+02 -0.193516D+02 -0.183823D+02  0.981001D+01
      6  -0.176160D+02 -0.474560D+01  0.526919D+01 -0.318435D+01  0.196491D+01
                 6             7             8             9            10 
      1  -0.494435D+01  0.126722D+02 -0.537195D+01 -0.135542D+02 -0.194693D+02
      2  -0.293782D+01 -0.820213D+01 -0.382787D+01 -0.158552D+01  0.209820D+02
      3   0.788218D+01 -0.447004D+01  0.919982D+01  0.151397D+02 -0.151264D+01
      4   0.144409D+02 -0.114234D+02  0.132210D+02  0.443633D+00 -0.357003D+02
      5  -0.189044D+00 -0.171008D+02  0.650923D+00 -0.709315D+01 -0.122750D+02
      6  -0.124907D+02  0.469106D+01 -0.107963D+02  0.773088D+01  0.495256D+01
                11            12            13            14            15 
      1  -0.211330D+02 -0.782228D+01 -0.246199D+02 -0.229160D+02 -0.435469D+01
      2   0.130009D+02  0.349956D+01  0.153752D+02  0.723366D+01  0.660399D+01
      3   0.813207D+01  0.432272D+01  0.924473D+01  0.156823D+02 -0.224931D+01
      4  -0.204792D+01  0.411837D+01 -0.146496D+01 -0.537272D+01 -0.148828D+02
      5   0.233976D+01  0.889261D+01  0.456865D+01 -0.124236D+02  0.116235D+01
      6  -0.354827D+01 -0.108357D+01 -0.186819D+01  0.104226D+02  0.100556D+00
                16            17            18            19            20 
      1   0.781254D+00 -0.343465D+01  0.118219D+02  0.588923D+02  0.888106D+01
      2  -0.848718D+01  0.911666D+01 -0.469738D+01 -0.590103D+02 -0.104656D+02
      3   0.770592D+01 -0.568201D+01 -0.712456D+01  0.118069D+00  0.158452D+01
      4   0.840069D+01 -0.185947D+02 -0.193899D+01  0.556169D+01 -0.149594D+02
      5   0.104752D+02 -0.575414D+00  0.186466D+02 -0.713749D+01 -0.389894D+01
      6  -0.238768D+01 -0.146379D+01 -0.907829D+01 -0.125944D+02 -0.366572D+01
                21            22            23            24            25 
      1   0.308584D+01  0.110007D+02  0.896945D+01 -0.194990D+01  0.320017D+01
      2  -0.382714D+01 -0.152062D+02 -0.113643D+02 -0.370461D+01  0.261187D+00
      3   0.741303D+00  0.420547D+01  0.239488D+01  0.565451D+01 -0.346135D+01
      4  -0.399859D+01 -0.323399D+02 -0.568683D+01  0.426439D+01 -0.853920D+01
      5   0.700245D+00 -0.827877D+01  0.329079D+00  0.522892D+01 -0.385325D+01
      6  -0.987216D+00 -0.798583D+01 -0.385871D+01  0.166103D+01 -0.150040D+01
                26            27            28            29            30 
      1  -0.172699D+01  0.698983D+01 -0.127904D+03 -0.650439D+01 -0.409944D+01
      2  -0.430668D+01  0.107923D+02  0.944558D+02  0.519796D+01  0.237517D+01
      3   0.603367D+01 -0.177821D+02  0.334483D+02  0.130643D+01  0.172428D+01
      4   0.625157D+01  0.525364D+01  0.296056D+01 -0.866878D+01 -0.143542D+01
      5   0.353255D+01 -0.674763D+01  0.555891D+01 -0.134756D+01 -0.969493D+01
      6   0.358688D+01  0.208276D+01  0.167032D+02  0.480918D+01  0.122624D+01
                31            32            33            34            35 
      1  -0.309589D+02 -0.249243D+02 -0.739474D+01  0.288131D+02 -0.367299D+01
      2   0.262829D+02  0.238363D+02  0.422897D+01 -0.166581D+02  0.446177D+01
      3   0.467594D+01  0.108799D+01  0.316576D+01 -0.121550D+02 -0.788783D+00
      4  -0.769383D+01 -0.871308D+01 -0.243353D+01 -0.994244D+00 -0.169808D+00
      5  -0.680871D+00 -0.785807D+00 -0.209887D+01  0.114404D+01  0.200341D+01
      6   0.254014D+01  0.676751D+01  0.398723D+01 -0.714898D+00 -0.464511D+00
                36            37            38            39            40 
      1  -0.350957D+01  0.156128D+03  0.104763D+02  0.890730D+01  0.322386D+02
      2  -0.984385D+00 -0.109588D+03 -0.686173D+01 -0.617698D+01 -0.168982D+02
      3   0.449395D+01 -0.465402D+02 -0.361457D+01 -0.273033D+01 -0.153405D+02
      4   0.247195D+01 -0.609638D+01  0.161444D+02  0.126354D+01  0.299852D+02
      5  -0.208562D+01  0.126399D+02  0.284870D+01  0.180635D+02  0.672071D+01
      6   0.494492D+01 -0.176934D+02 -0.468078D+01 -0.280020D+01 -0.109463D+02
                41            42            43            44            45 
      1   0.389869D+01 -0.234704D+01 -0.301746D+02 -0.795840D+01  0.125959D+02
      2   0.334185D+01 -0.315752D+01  0.195198D+02  0.310678D+01 -0.173546D+01
      3  -0.724054D+01  0.550456D+01  0.106548D+02  0.485162D+01 -0.108604D+02
      4   0.684334D+01 -0.244768D+01  0.318347D+01 -0.313041D+01 -0.698212D+01
      5  -0.185709D+01 -0.501515D+01  0.248533D+02 -0.508822D+01  0.805472D+01
      6  -0.732932D+00  0.441614D+01 -0.214355D+01  0.311455D+01  0.608716D+01
                46            47            48            49            50 
      1  -0.696603D+02 -0.456986D+01  0.429852D+01  0.427169D+01 -0.401622D+01
      2   0.495228D+02 -0.191798D+01  0.768861D+00 -0.804234D+01  0.664279D+01
      3   0.201375D+02  0.648784D+01 -0.506738D+01  0.377065D+01 -0.262657D+01
      4  -0.288569D+01 -0.146975D+02  0.339042D+01 -0.241595D+01  0.270326D+01
      5  -0.883302D+01  0.338458D+00 -0.134638D+02  0.212969D+02 -0.613120D+01
      6   0.120498D+02  0.126407D+01  0.186469D+00 -0.244754D+01  0.517893D+01
                51            52            53            54            55 
      1   0.652874D+01 -0.479574D+02  0.292986D+01 -0.138961D+02  0.309822D+02
      2  -0.842696D+01  0.440801D+02  0.180634D+01  0.191197D+02 -0.181922D+02
      3   0.189822D+01  0.387726D+01 -0.473620D+01 -0.522361D+01 -0.127900D+02
      4  -0.763032D+01  0.233824D+02 -0.813942D+01  0.104454D+02 -0.889483D+01
      5   0.883936D+01 -0.563319D+02  0.581413D+01 -0.434674D+02  0.226644D+02
      6   0.283932D+01  0.132663D+02 -0.596733D+01  0.690449D+01 -0.211979D+01
                56            57            58            59            60 
      1  -0.411189D+01  0.127810D+02 -0.240314D+02 -0.102903D+01 -0.193428D+01
      2   0.316838D+01 -0.847900D+01  0.150883D+02  0.201230D+01  0.248397D+01
      3   0.943507D+00 -0.430200D+01  0.894312D+01 -0.983264D+00 -0.549688D+00
      4   0.127704D+02 -0.455075D+01  0.231058D+02 -0.161159D+02  0.210546D+02
      5  -0.356578D+01  0.202993D+02 -0.169692D+02  0.204545D+02 -0.128094D+02
      6   0.186633D+01 -0.151842D+01  0.107034D+02 -0.853767D+01  0.135199D+02
                61            62            63            64            65 
      1   0.682854D+02  0.372487D+01 -0.219958D-01 -0.275097D+01  0.353325D+02
      2  -0.532880D+02 -0.272829D+01 -0.297026D+02 -0.190456D+02 -0.241156D+02
      3  -0.149974D+02 -0.996580D+00  0.297246D+02  0.217966D+02 -0.112169D+02
      4  -0.138769D+02  0.177217D+02 -0.156514D+02  0.347216D+02 -0.186324D+02
      5   0.637637D+02 -0.102376D+02  0.758048D+02  0.884182D+01 -0.226593D+01
      6  -0.116287D+02  0.145191D+02 -0.908316D+01 -0.729856D+01  0.626647D+01
                66            67            68            69            70 
      1   0.105989D+02  0.314539D+02  0.519178D+01 -0.266210D+00  0.106508D+02
      2  -0.499515D+00 -0.197349D+02 -0.573547D+01 -0.660296D+01  0.468822D+01
      3  -0.100994D+02 -0.117191D+02  0.543690D+00  0.686917D+01 -0.153390D+02
      4  -0.122827D+02 -0.141053D+02 -0.546755D+01  0.145056D+02 -0.179836D+02
      5  -0.461726D+01 -0.373302D+01  0.140943D+02 -0.522215D+01 -0.636243D+01
      6   0.415551D+01  0.759897D+01 -0.119890D+02  0.469995D+01  0.554818D+01
                71            72            73            74            75 
      1  -0.230553D+01 -0.301422D+01 -0.756952D+01 -0.969287D+01  0.344779D+01
      2  -0.933135D+01  0.165951D+02  0.487252D+01  0.763640D+01  0.461524D+01
      3   0.116369D+02 -0.135809D+02  0.269700D+01  0.205647D+01 -0.806304D+01
      4   0.171186D+02  0.341293D+01 -0.803729D+01  0.106542D+02  0.112007D+02
      5  -0.105165D+01 -0.325070D+02  0.104656D+02  0.107621D+02 -0.258273D+02
      6   0.477787D+01  0.188668D+02  0.296957D+01  0.755582D+01 -0.320854D+01
                76            77            78            79            80 
      1  -0.116191D+02  0.308597D+02  0.177075D+02  0.926823D+01  0.183481D+02
      2   0.980833D+01 -0.145000D+02 -0.993012D+01  0.384160D+01 -0.104992D+02
      3   0.181076D+01 -0.163597D+02 -0.777739D+01 -0.131098D+02 -0.784891D+01
      4   0.229283D+02  0.199675D+02  0.923602D+01  0.199952D+02  0.123998D+02
      5   0.177102D+02  0.698390D+01  0.278633D+01 -0.370792D+02  0.112711D+00
      6   0.698642D+01  0.148347D+01  0.753522D+00 -0.553033D+01  0.164707D+01
                81            82            83            84            85 
      1  -0.306795D+02 -0.364318D+02  0.650745D+01  0.548501D+01  0.862018D+01
      2   0.230602D+02  0.402419D+02  0.503018D+01 -0.604643D+01  0.455574D+01
      3   0.761929D+01 -0.381011D+01 -0.115376D+02  0.561424D+00 -0.131759D+02
      4  -0.479636D+01  0.227416D+02  0.175714D+02 -0.110352D+01  0.227769D+02
      5  -0.154403D+02  0.488693D+01  0.444583D+00  0.259549D+01 -0.104415D+01
      6   0.193837D+01  0.105857D+02 -0.214693D+01  0.259270D+01 -0.983355D+00
                86            87            88            89            90 
      1   0.696978D+01 -0.924145D+00  0.177911D+02  0.256331D+01  0.227816D+02
      2  -0.941472D+00  0.177295D+01 -0.183562D+02 -0.219165D+01 -0.247544D+02
      3  -0.602830D+01 -0.848809D+00  0.565119D+00 -0.371663D+00  0.197284D+01
      4  -0.301613D+00 -0.762048D+01 -0.618850D+01 -0.121015D+02 -0.118664D+02
      5  -0.319300D+01 -0.117821D+02  0.233853D+01 -0.151790D+02  0.201975D+01
      6  -0.943304D+01 -0.198066D+02 -0.162760D+01 -0.286629D+02 -0.422731D+01
                91            92            93            94            95 
      1  -0.222503D+02  0.718510D+01 -0.371813D+02  0.186064D+02  0.121775D+02
      2   0.959342D+01 -0.162572D+01  0.173596D+02 -0.146383D+02 -0.115782D+02
      3   0.126569D+02 -0.555938D+01  0.198218D+02 -0.396809D+01 -0.599228D+00
      4   0.124395D+02  0.122389D+02 -0.105937D+02 -0.404488D+01 -0.319203D+02
      5  -0.419886D+02 -0.973734D+01 -0.411693D+01 -0.116128D+02  0.256727D+02
      6  -0.605078D+01 -0.410858D+01  0.217818D+01  0.252205D+01  0.980430D+01
                96            97            98            99           100 
      1  -0.911157D+01 -0.543199D+02 -0.888577D+01 -0.185990D+02  0.358500D+02
      2   0.154628D+02  0.248301D+02  0.118543D+02  0.151830D+02 -0.237521D+02
      3  -0.635124D+01  0.294898D+02 -0.296857D+01  0.341601D+01 -0.120979D+02
      4   0.277767D+02 -0.117499D+02  0.210320D+02  0.118266D+02  0.589508D+01
      5   0.181809D+02 -0.228937D+02  0.121273D+02  0.315783D+02  0.253315D+02
      6  -0.788002D+01  0.306216D+01 -0.475625D+01 -0.574145D+01  0.193641D+01
               101           102           103           104           105 
      1   0.143146D+01  0.170342D+02 -0.471082D+01  0.132092D+01 -0.468889D+01
      2  -0.315226D+00 -0.130939D+02  0.373233D+01 -0.176000D+01  0.404287D+01
      3  -0.111623D+01 -0.394030D+01  0.978491D+00  0.439081D+00  0.646015D+00
      4   0.508359D+01  0.117969D+01  0.619917D+01 -0.322806D+01  0.555710D+01
      5  -0.938836D+00  0.231571D+02 -0.572271D+01  0.668357D+01 -0.451871D+01
      6   0.111258D+01  0.253221D+01  0.209762D+01 -0.106222D+00  0.383837D+01
               106           107           108           109           110 
      1   0.260360D+02 -0.240881D+01  0.189572D+02  0.591385D+02  0.135120D+02
      2  -0.220320D+02  0.293017D+01 -0.228895D+02 -0.296467D+02 -0.491057D+01
      3  -0.400398D+01 -0.521353D+00  0.393228D+01 -0.294918D+02 -0.860144D+01
      4   0.222451D+01  0.869850D+01  0.383305D+01  0.255932D+02  0.131902D+02
      5   0.363313D+02  0.633865D+00  0.407012D+02 -0.227300D+02 -0.641425D+01
      6   0.403669D+01  0.408632D+01  0.522767D+01 -0.659841D+01 -0.311543D+01
               111           112           113           114           115 
      1  -0.179674D+02  0.115390D+02  0.496280D+01 -0.484051D+01 -0.324986D+02
      2   0.911419D+01 -0.333560D+01  0.136955D+01  0.142768D+01  0.170991D+02
      3   0.885322D+01 -0.820341D+01 -0.633235D+01  0.341283D+01  0.153995D+02
      4  -0.919151D+01  0.156999D+02  0.107165D+02 -0.837854D+01 -0.169774D+02
      5   0.190538D+02 -0.696442D+01 -0.757746D+01  0.450394D+01  0.290922D+02
      6   0.424376D+01 -0.397323D+01 -0.278680D+01  0.371505D+01  0.768236D+01
               116           117           118           119           120 
      1  -0.821938D+01  0.191978D+02  0.552131D+00 -0.520902D+00  0.256782D+01
      2   0.261000D+01 -0.138208D+02 -0.385445D+01  0.321773D+00  0.584678D-01
      3   0.560938D+01 -0.537695D+01  0.330232D+01  0.199129D+00 -0.262629D+01
      4  -0.136125D+02  0.103519D+02 -0.162404D+01  0.278838D+01  0.549093D+00
      5   0.710329D+01 -0.215537D+02  0.123027D+01 -0.283681D+00  0.558823D+01
      6   0.428750D+01 -0.662999D+01 -0.471675D+00 -0.146663D+00  0.855096D-01
               121           122           123           124           125 
      1   0.565258D+00 -0.513236D+01  0.426514D+01  0.843364D+00  0.215420D+01
      2   0.156322D+00  0.930734D+00  0.817196D+00 -0.640165D+00  0.218684D+01
      3  -0.721580D+00  0.420163D+01 -0.508234D+01 -0.203198D+00 -0.434103D+01
      4   0.277883D+01 -0.136340D+01  0.150861D+01  0.275758D+00  0.361652D+01
      5  -0.566431D+00  0.114966D+01 -0.243338D+01  0.529611D+01 -0.169700D+01
      6  -0.447159D-01 -0.230694D+01  0.595864D+01 -0.114110D+00  0.456075D+01
               126           127           128           129           130 
      1  -0.214804D+02 -0.694857D+00  0.584768D+01 -0.416104D+01  0.347966D+01
      2  -0.117159D+02  0.969003D+00 -0.750932D+01  0.366909D+01 -0.343353D+01
      3   0.331962D+02 -0.274146D+00  0.166163D+01  0.491945D+00 -0.461246D-01
      4  -0.292858D+01 -0.141748D+01  0.127447D+01 -0.251543D+01  0.290079D+01
      5   0.111045D+02 -0.150395D+01 -0.175572D-01  0.112366D+00 -0.638985D-01
      6  -0.145918D+00 -0.499709D+01  0.235912D+01 -0.288436D+01  0.743879D+00
               131           132           133           134           135 
      1  -0.192794D+02  0.800538D+01 -0.702123D+01  0.138501D+02 -0.154328D+02
      2   0.269114D+02 -0.109325D+02  0.439298D+01 -0.187498D+02  0.143054D+02
      3  -0.763204D+01  0.292711D+01  0.262826D+01  0.489967D+01  0.112740D+01
      4   0.105788D+02 -0.406433D+01 -0.497696D+01 -0.770007D+01  0.617670D+01
      5  -0.565430D+01  0.611534D+01  0.558860D+00  0.871805D+01 -0.108474D+02
      6  -0.994653D+01  0.119314D+02 -0.552933D+00  0.162147D+02 -0.158441D+02
               136           137           138           139           140 
      1   0.407816D+01  0.567615D+01  0.351392D+01  0.241264D+01 -0.271402D+02
      2  -0.301068D+01 -0.406033D+01 -0.145741D+01 -0.908511D-01  0.338312D+02
      3  -0.106748D+01 -0.161582D+01 -0.205651D+01 -0.232179D+01 -0.669106D+01
      4   0.443453D+01  0.623170D+01  0.474192D+01  0.823547D+01  0.228936D+02
      5   0.295393D+01  0.344256D+01  0.418989D+01  0.391494D+01  0.118833D+02
      6   0.466798D+01 -0.254206D+00 -0.602960D+00  0.385731D+01  0.270683D+02
               141           142           143           144           145 
      1  -0.134547D+02 -0.957838D+00 -0.212901D+02 -0.210459D+02 -0.232637D+01
      2   0.137046D+02  0.311367D+01  0.193801D+02  0.122397D+02 -0.125109D+01
      3  -0.249942D+00 -0.215583D+01  0.190999D+01  0.880628D+01  0.357746D+01
      4   0.117019D+02  0.956626D+01  0.174289D+02  0.135255D+02  0.892481D+00
      5   0.957419D+01  0.687090D+01  0.148430D+02  0.141783D+02 -0.307238D+01
      6   0.206347D+02  0.507777D+01  0.291629D+02  0.261403D+02 -0.103638D+01
               146           147           148           149           150 
      1   0.159114D+01 -0.591831D+01  0.258099D+01 -0.941490D+01  0.975665D+01
      2   0.861167D+00  0.107767D+01 -0.689855D+00 -0.820815D+00  0.675992D+01
      3  -0.245231D+01  0.484064D+01 -0.189113D+01  0.102357D+02 -0.165166D+02
      4   0.258515D+00  0.126013D+01  0.318111D+00  0.156950D+02 -0.880736D+01
      5  -0.463408D+00  0.381858D+01 -0.269637D+01 -0.686757D+01  0.107560D+02
      6   0.265382D+01 -0.160794D+01  0.171829D+01 -0.163332D+02  0.109157D+02
               151           152           153           154           155 
      1  -0.354045D+01  0.712904D+01 -0.102000D+02  0.277226D+02 -0.711720D+01
      2   0.120480D+01  0.451227D+01 -0.763572D+01 -0.198061D+02  0.385436D+01
      3   0.233565D+01 -0.116413D+02  0.178357D+02 -0.791647D+01  0.326283D+01
      4   0.884837D+00 -0.686981D+01  0.720052D+01 -0.209633D+02  0.141349D+02
      5   0.452673D+01  0.575297D+01 -0.857569D+01 -0.371190D+02  0.138018D+02
      6  -0.130259D+01  0.104328D+02 -0.916135D+01  0.119482D+02 -0.829145D+01
               156           157           158           159           160 
      1  -0.881472D+01 -0.697068D+01  0.101203D+01 -0.592529D-02 -0.615970D+01
      2   0.141209D+02  0.375037D+01 -0.511826D+00 -0.196955D+01  0.111253D+02
      3  -0.530621D+01  0.322031D+01 -0.500207D+00  0.197547D+01 -0.496555D+01
      4   0.115453D+02  0.135372D+02 -0.111606D+02 -0.100059D+02  0.823593D+01
      5   0.293039D+02  0.131324D+02 -0.114112D+02 -0.106190D+02  0.221183D+02
      6  -0.947415D+01 -0.789014D+01  0.832923D+01  0.981564D+01 -0.739337D+01
               161           162           163           164           165 
      1   0.282604D+00  0.286900D+01 -0.119382D+02 -0.129109D+02 -0.126303D+02
      2  -0.205272D+01 -0.109861D+02  0.586807D+01  0.908643D+01  0.179504D+01
      3   0.177011D+01  0.811705D+01  0.607015D+01  0.382451D+01  0.108352D+02
      4  -0.623848D+01 -0.856876D+01  0.158824D+01 -0.319084D+00  0.845459D+00
      5  -0.842352D+01 -0.216913D+02  0.661104D+01  0.494413D+01  0.184868D+01
      6   0.729212D+01  0.836380D+01  0.903682D+01  0.101008D+02  0.718377D+01
               166           167           168           169           170 
      1  -0.103502D+02 -0.166657D+02 -0.893671D+01 -0.663808D+01 -0.530259D+01
      2   0.777645D+01  0.123932D+02  0.263222D+01  0.868679D+00  0.914718D+00
      3   0.257375D+01  0.427253D+01  0.630449D+01  0.576940D+01  0.438787D+01
      4   0.153299D+01 -0.283418D+01 -0.361424D+01  0.135376D+01 -0.181948D+01
      5   0.664538D+01  0.566293D+00 -0.174715D+01  0.402676D+01  0.574853D-01
      6   0.657758D+01  0.129647D+02  0.109264D+02  0.389352D+01  0.769867D+01
               171           172           173           174           175 
      1  -0.814959D+01 -0.147624D+02 -0.245228D+02 -0.121893D+01 -0.157440D+02
      2   0.524644D+00  0.165224D+02  0.279637D+02  0.100758D+01  0.159029D+02
      3   0.762495D+01 -0.176000D+01 -0.344085D+01  0.211356D+00 -0.158850D+00
      4  -0.526469D+00  0.475219D+01  0.597898D+00  0.255037D+01  0.564436D+01
      5   0.962425D+00 -0.480795D+01 -0.161285D+01 -0.177862D+01 -0.202304D+01
      6   0.598884D+01  0.236443D+00 -0.348422D+01  0.524711D+01 -0.149193D+01
               176           177           178           179           180 
      1  -0.277794D+02 -0.566543D+00 -0.324586D+01 -0.221798D+01 -0.548731D+01
      2   0.380812D+02  0.200112D+01  0.141680D+01  0.541185D+01  0.372663D+01
      3  -0.103018D+02 -0.143457D+01  0.182906D+01 -0.319387D+01  0.176068D+01
      4  -0.762133D+01 -0.952817D+00  0.319188D+01 -0.368101D+01 -0.380582D+00
      5  -0.357056D+01 -0.172460D+01 -0.103098D+00 -0.202782D+01  0.158393D+01
      6  -0.267949D+01  0.501979D+01  0.259949D+01  0.551369D+01 -0.644266D+00
               181           182           183           184           185 
      1   0.435771D+02 -0.179929D+02 -0.777474D+01 -0.142312D+02  0.574008D+01
      2  -0.796240D+01 -0.285416D+01  0.147512D+01 -0.292539D+01  0.114423D+02
      3  -0.356147D+02  0.208471D+02  0.629962D+01  0.171566D+02 -0.171824D+02
      4  -0.494123D+02  0.345395D+02  0.751523D+01  0.286495D+02 -0.266854D+02
      5  -0.360620D+01  0.967765D+00  0.962450D+01  0.165219D+01 -0.330598D+01
      6   0.368738D+01 -0.160726D+01 -0.691495D+01 -0.179499D+01  0.261088D+01
               186           187           188           189           190 
      1   0.110605D+01 -0.115120D+02  0.260735D+01  0.587593D+01  0.377372D+01
      2   0.275454D+01  0.497148D+00  0.536824D+01 -0.255478D+01 -0.249675D+01
      3  -0.386060D+01  0.110148D+02 -0.797559D+01 -0.332116D+01 -0.127697D+01
      4  -0.642094D+01  0.157601D+02 -0.143228D+02 -0.943277D+01 -0.642690D+01
      5  -0.307767D+01  0.983190D+01 -0.546355D+01 -0.438615D+01  0.732123D+01
      6   0.360268D+01 -0.731175D+01  0.459281D+01  0.348498D+01 -0.324576D+01
               191           192           193           194           195 
      1  -0.414441D+01  0.466943D+01 -0.528688D+00 -0.227354D+01  0.261552D+01
      2   0.232079D+01 -0.473336D+01  0.134954D-01 -0.303229D+00 -0.442622D+01
      3   0.182362D+01  0.639330D-01  0.515192D+00  0.257677D+01  0.181070D+01
      4   0.438620D+01 -0.295500D+01  0.229980D+01  0.122025D+01  0.367131D+01
      5  -0.119051D+01  0.102083D+02  0.109353D+01  0.383466D+01  0.178322D+01
      6   0.506152D+00 -0.351553D+01  0.446044D+00 -0.188341D+01  0.486126D+01
               196           197           198           199           200 
      1   0.382000D+01  0.446238D+01 -0.981632D+01 -0.157804D+01 -0.728540D+00
      2  -0.612541D+01 -0.451227D+01 -0.169386D+02  0.156563D+01  0.576401D+00
      3   0.230541D+01  0.498827D-01  0.267550D+02  0.124149D-01  0.152139D+00
      4  -0.556681D+01  0.810956D+01 -0.855039D+01 -0.106416D+00  0.141033D+01
      5   0.151270D+02 -0.616772D+01  0.427110D+02  0.493357D-01 -0.484841D+00
      6  -0.725219D+01  0.976644D+01 -0.293810D+02 -0.681189D+00  0.205478D+00
               201           202           203           204           205 
      1   0.903764D+00 -0.157606D+01 -0.207574D+01  0.494214D+01  0.490437D+01
      2  -0.628861D+00 -0.215740D+01  0.113171D+01 -0.269081D+01 -0.241854D+01
      3  -0.274903D+00  0.373346D+01  0.944029D+00 -0.225133D+01 -0.248583D+01
      4  -0.714162D+00  0.781101D+00 -0.112596D+01  0.185609D+01 -0.541606D+00
      5   0.238916D+01 -0.658872D+00  0.965156D+00 -0.901350D+00  0.185992D+01
      6   0.469873D-02  0.969116D+00 -0.368974D+01  0.385098D+01  0.694458D+00
               206           207           208           209           210 
      1   0.595869D+01 -0.123612D+02  0.214275D+01  0.255565D+01 -0.585678D+01
      2  -0.430248D+01  0.779099D+00 -0.329604D+01 -0.140794D+01  0.231328D+01
      3  -0.165622D+01  0.115821D+02  0.115329D+01 -0.114770D+01  0.354351D+01
      4   0.198614D+01 -0.303302D+01  0.267869D+01  0.120080D+01 -0.151482D+01
      5  -0.193891D+01  0.424811D+01 -0.534976D+01 -0.170009D+01  0.405713D+01
      6   0.477325D+01 -0.700931D+01 -0.198456D+01  0.269152D+00  0.348785D+00
               211           212           213           214           215 
      1   0.247490D+01 -0.460304D+01  0.411170D+01 -0.241246D+01  0.451184D+01
      2  -0.407581D+01  0.684727D+00  0.140867D+01  0.361664D+01  0.227201D+00
      3   0.160092D+01  0.391832D+01 -0.552037D+01 -0.120418D+01 -0.473904D+01
      4  -0.183474D+01  0.190821D+01 -0.275993D+01 -0.369472D+01 -0.388212D+01
      5  -0.511064D+01 -0.372002D+01  0.673858D+01  0.769522D+01  0.569862D+01
      6   0.115600D+01 -0.343418D+01  0.467813D+01  0.244732D+01  0.620697D+01
               216           217           218           219           220 
      1  -0.183801D+02  0.160188D+02 -0.717267D+01 -0.763205D+01 -0.176462D+02
      2  -0.748962D+01 -0.117060D+02  0.423322D+01  0.591347D+01  0.114308D+02
      3   0.258697D+02 -0.431280D+01  0.293945D+01  0.171858D+01  0.621539D+01
      4   0.439692D+01 -0.805361D+01  0.322415D+01  0.525625D+01  0.118231D+02
      5  -0.210433D+02 -0.946217D+01  0.607385D+01  0.118598D+02  0.149119D+02
      6  -0.641710D+01  0.282705D+01 -0.446429D+00 -0.843123D+00 -0.407038D+01
               221           222           223           224           225 
      1   0.116347D+01  0.469764D+01 -0.204992D+02 -0.416044D+00  0.883795D+01
      2  -0.174851D+01 -0.921337D+01  0.166593D+02 -0.502365D+01 -0.222727D+02
      3   0.585039D+00  0.451573D+01  0.383986D+01  0.543969D+01  0.134347D+02
      4  -0.138247D+02 -0.200241D+02  0.473087D+01 -0.182328D+02 -0.165630D+02
      5  -0.188688D+02 -0.244497D+02  0.324908D+02 -0.151741D+02 -0.578096D+02
      6   0.580117D+01  0.865833D+01 -0.238980D+01  0.699583D+01  0.645810D+01
               226           227           228           229           230 
      1   0.100698D+03  0.179295D+01  0.233406D+02 -0.552106D+01  0.103193D+02
      2  -0.480319D+02  0.255011D+00 -0.102690D+02  0.395561D+01 -0.334099D+01
      3  -0.526661D+02 -0.204796D+01 -0.130716D+02  0.156545D+01 -0.697830D+01
      4   0.629284D+01  0.125924D+02  0.276861D+01  0.149953D+02  0.327798D+01
      5   0.195603D+02  0.192122D+01  0.162315D+02  0.104533D+01  0.209649D+01
      6   0.320499D+01 -0.372602D-01  0.165051D+01  0.200069D+00 -0.481100D+00
               231           232           233           234           235 
      1   0.541121D+00  0.461131D+02  0.261397D+01  0.197586D+02  0.212907D+01
      2  -0.925356D+00 -0.218169D+02 -0.130012D+01 -0.110090D+02  0.733062D+00
      3   0.384234D+00 -0.242962D+02 -0.131385D+01 -0.874954D+01 -0.286213D+01
      4   0.253060D+01  0.502221D+01  0.670063D+01  0.114810D-01  0.504118D+01
      5  -0.270936D+01  0.224750D+02 -0.604755D+00  0.165101D+02  0.267059D+01
      6   0.203072D+01  0.240179D+01  0.166169D+01  0.258397D+01 -0.241814D+01
               236           237           238           239           240 
      1   0.994559D+01  0.161422D+00  0.192033D+02 -0.103784D+02  0.332529D+01
      2  -0.642638D+01  0.120937D+00 -0.553706D+01  0.233242D+02 -0.494916D+01
      3  -0.351921D+01 -0.282359D+00 -0.136663D+02 -0.129458D+02  0.162387D+01
      4   0.102089D+00  0.140299D+01  0.201586D+02  0.605043D+02 -0.208518D+02
      5   0.623832D+00 -0.390706D-01 -0.818470D+01 -0.191570D+02  0.136286D+02
      6   0.130984D+01 -0.146370D+01 -0.422691D+01 -0.170211D+02  0.108664D+02
               241           242           243 
      1  -0.438110D+01  0.395751D+01  0.539496D+00
      2   0.266984D+01 -0.317849D+01 -0.956282D+00
      3   0.171125D+01 -0.779016D+00  0.416787D+00
      4  -0.369463D+01 -0.157901D+02  0.118686D+02
      5   0.120551D+02  0.120616D+02 -0.176463D+02
      6   0.192954D+01  0.979738D+01 -0.626390D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:19:39 2021, MaxMem=  5637144576 cpu:           31455.3 elap:            3953.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.44772 -10.53117 -10.45979 -10.45577 -10.44834
 Alpha  occ. eigenvalues --  -10.44424 -10.44135 -10.44054 -10.43553 -10.42940
 Alpha  occ. eigenvalues --  -10.42878  -1.16395  -1.00928  -0.92975  -0.88383
 Alpha  occ. eigenvalues --   -0.87466  -0.82155  -0.80521  -0.73885  -0.71755
 Alpha  occ. eigenvalues --   -0.66157  -0.63530  -0.60770  -0.59333  -0.57794
 Alpha  occ. eigenvalues --   -0.56586  -0.55998  -0.55500  -0.53246  -0.52114
 Alpha  occ. eigenvalues --   -0.50499  -0.50323  -0.49242  -0.47956  -0.47068
 Alpha  occ. eigenvalues --   -0.46463  -0.45624  -0.42210  -0.41351  -0.40310
 Alpha  occ. eigenvalues --   -0.36201  -0.35842
 Alpha virt. eigenvalues --    0.01955   0.04392   0.05658   0.06491   0.06832
 Alpha virt. eigenvalues --    0.07861   0.09002   0.09621   0.10583   0.11156
 Alpha virt. eigenvalues --    0.12327   0.13172   0.13805   0.14029   0.14566
 Alpha virt. eigenvalues --    0.15588   0.16208   0.16910   0.17378   0.17607
 Alpha virt. eigenvalues --    0.18183   0.18866   0.19644   0.20517   0.21579
 Alpha virt. eigenvalues --    0.21893   0.22218   0.22602   0.23109   0.23844
 Alpha virt. eigenvalues --    0.24452   0.25380   0.25691   0.26423   0.26661
 Alpha virt. eigenvalues --    0.27349   0.28232   0.28821   0.29978   0.30340
 Alpha virt. eigenvalues --    0.30720   0.31854   0.32540   0.32841   0.33341
 Alpha virt. eigenvalues --    0.33976   0.34170   0.34569   0.34893   0.35328
 Alpha virt. eigenvalues --    0.36306   0.36832   0.37021   0.37308   0.37666
 Alpha virt. eigenvalues --    0.38347   0.38508   0.38685   0.38789   0.39217
 Alpha virt. eigenvalues --    0.39517   0.39842   0.40349   0.40564   0.41219
 Alpha virt. eigenvalues --    0.41593   0.42135   0.42377   0.42721   0.43212
 Alpha virt. eigenvalues --    0.43462   0.44021   0.44616   0.44893   0.45967
 Alpha virt. eigenvalues --    0.46202   0.46637   0.46965   0.47318   0.47789
 Alpha virt. eigenvalues --    0.48515   0.48546   0.49078   0.49631   0.50326
 Alpha virt. eigenvalues --    0.50551   0.50715   0.51408   0.51551   0.51668
 Alpha virt. eigenvalues --    0.52576   0.53029   0.53498   0.53704   0.54725
 Alpha virt. eigenvalues --    0.55086   0.55468   0.56317   0.56494   0.56592
 Alpha virt. eigenvalues --    0.57257   0.57657   0.58314   0.58750   0.59584
 Alpha virt. eigenvalues --    0.59762   0.60370   0.60631   0.61561   0.62290
 Alpha virt. eigenvalues --    0.62703   0.63026   0.64053   0.64336   0.65373
 Alpha virt. eigenvalues --    0.65771   0.66402   0.66438   0.67233   0.68171
 Alpha virt. eigenvalues --    0.68223   0.69325   0.70260   0.70446   0.71585
 Alpha virt. eigenvalues --    0.72234   0.72781   0.73591   0.73954   0.75267
 Alpha virt. eigenvalues --    0.75505   0.76195   0.77494   0.78281   0.79105
 Alpha virt. eigenvalues --    0.80836   0.81839   0.82852   0.83279   0.83740
 Alpha virt. eigenvalues --    0.84362   0.85007   0.86692   0.88837   0.92301
 Alpha virt. eigenvalues --    0.94768   0.97094   0.98722   0.99470   1.00362
 Alpha virt. eigenvalues --    1.02442   1.03060   1.04095   1.04191   1.04732
 Alpha virt. eigenvalues --    1.05599   1.06452   1.07051   1.08007   1.08188
 Alpha virt. eigenvalues --    1.09489   1.09800   1.10577   1.11267   1.11430
 Alpha virt. eigenvalues --    1.12718   1.13341   1.14427   1.15408   1.16565
 Alpha virt. eigenvalues --    1.18659   1.19933   1.21137   1.22564   1.24468
 Alpha virt. eigenvalues --    1.25136   1.27716   1.28469   1.29008   1.31186
 Alpha virt. eigenvalues --    1.33257   1.34398   1.34757   1.36229   1.38427
 Alpha virt. eigenvalues --    1.38738   1.39552   1.41620   1.42932   1.44443
 Alpha virt. eigenvalues --    1.45507   1.46374   1.47150   1.49856   1.51426
 Alpha virt. eigenvalues --    1.53500   1.55285   1.58180   1.60163   1.62339
 Alpha virt. eigenvalues --    1.62903   1.65790   1.67221   1.67872   1.69890
 Alpha virt. eigenvalues --    1.70548   1.70851   1.73807   1.75962   1.76754
 Alpha virt. eigenvalues --    1.78581   1.79330   1.82221   1.83821   1.84852
 Alpha virt. eigenvalues --    1.86045   1.86736   1.88431   1.89405   1.90506
 Alpha virt. eigenvalues --    1.92862   1.93363   1.95273   1.95841   1.97696
 Alpha virt. eigenvalues --    1.99043   2.00858   2.01592   2.03983   2.05983
 Alpha virt. eigenvalues --    2.06282   2.06714   2.07863   2.09229   2.10170
 Alpha virt. eigenvalues --    2.11158   2.12623   2.12905   2.13497   2.14028
 Alpha virt. eigenvalues --    2.15875   2.16673   2.19223   2.20474   2.21518
 Alpha virt. eigenvalues --    2.22646   2.23446   2.26015   2.27602   2.28575
 Alpha virt. eigenvalues --    2.30593   2.31129   2.31585   2.32797   2.34765
 Alpha virt. eigenvalues --    2.35233   2.37341   2.37834   2.40212   2.41272
 Alpha virt. eigenvalues --    2.44720   2.46453   2.47888   2.49533   2.51540
 Alpha virt. eigenvalues --    2.54116   2.56073   2.57069   2.58725   2.60556
 Alpha virt. eigenvalues --    2.62216   2.63139   2.63967   2.65514   2.67826
 Alpha virt. eigenvalues --    2.70350   2.72148   2.73921   2.74755   2.76994
 Alpha virt. eigenvalues --    2.78302   2.81399   2.83964   2.88535   2.91973
 Alpha virt. eigenvalues --    2.95317   2.98523   3.00238   3.03660   3.05546
 Alpha virt. eigenvalues --    3.07298   3.08688   3.10503   3.11119   3.14197
 Alpha virt. eigenvalues --    3.15367   3.19534   3.21627   3.22769   3.23765
 Alpha virt. eigenvalues --    3.25682   3.27647   3.29295   3.29673   3.32523
 Alpha virt. eigenvalues --    3.37143   3.39877   3.61506   3.88613
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.972099  -0.333875   0.091361  -0.153639  -0.028653   0.003346
     2  C   -0.333875  10.980631  -0.617604   0.174121   0.026337   0.004039
     3  C    0.091361  -0.617604   7.230555  -0.628742  -0.520608   0.187378
     4  C   -0.153639   0.174121  -0.628742   7.506875  -0.120856   0.133442
     5  C   -0.028653   0.026337  -0.520608  -0.120856   9.355748  -1.078278
     6  C    0.003346   0.004039   0.187378   0.133442  -1.078278   6.212137
     7  O    0.001413  -0.003021   0.025591  -0.136417  -0.098296   0.651960
     8  C   -0.169765  -0.556356  -0.038021   0.003341   0.045267  -0.001053
     9  C   -0.021837  -0.395286   0.148840   0.031026   0.000031  -0.001598
    10  C   -0.046050   0.281344   0.128301  -0.120305   0.099473  -0.000784
    11  C    0.000063   0.000205   0.003203   0.058716  -0.121364   0.450102
    12  H    0.072638   0.015562   0.087352  -0.007389  -0.002665   0.000082
    13  H   -0.116600  -0.132951   0.024232  -0.005949   0.001461  -0.000039
    14  H    0.068376  -0.247140  -0.503391  -0.440151  -0.685800   0.054352
    15  H    0.023610   0.104147   0.024884  -0.129118  -0.003758   0.003886
    16  H   -0.010075  -0.078652   0.034739   0.019853   0.017616  -0.000893
    17  H    0.277586   0.311221  -0.097395   0.015299  -0.010803  -0.000234
    18  H   -0.025857   0.147988  -0.000512  -0.005545   0.003655  -0.000072
    19  H   -0.087259   0.156939   0.002122   0.021647   0.007033   0.001882
    20  H    0.006173   0.189163   0.012266   0.009529  -0.005530   0.000287
    21  H    0.026982   0.177787   0.028482   0.000985  -0.001445   0.000019
    22  H   -0.003257  -0.082238  -0.033002  -0.007798   0.012685  -0.000123
    23  H    0.000999  -0.120234   0.009581   0.022606  -0.963832   0.064586
    24  H   -0.000935  -0.008204  -0.169189  -0.219706   0.731443  -0.508273
    25  H    0.000007   0.000060   0.002804  -0.000718  -0.033682   0.090201
    26  H    0.000005  -0.000057  -0.000373  -0.004631   0.049570   0.109070
    27  H    0.000028   0.000078   0.002864   0.000150  -0.025696   0.080280
               7          8          9         10         11         12
     1  C    0.001413  -0.169765  -0.021837  -0.046050   0.000063   0.072638
     2  C   -0.003021  -0.556356  -0.395286   0.281344   0.000205   0.015562
     3  C    0.025591  -0.038021   0.148840   0.128301   0.003203   0.087352
     4  C   -0.136417   0.003341   0.031026  -0.120305   0.058716  -0.007389
     5  C   -0.098296   0.045267   0.000031   0.099473  -0.121364  -0.002665
     6  C    0.651960  -0.001053  -0.001598  -0.000784   0.450102   0.000082
     7  O    7.684838   0.000181  -0.000086   0.000694  -0.036337  -0.000014
     8  C    0.000181   5.499003  -0.108362   0.074553  -0.000150  -0.095765
     9  C   -0.000086  -0.108362   5.168233  -0.014604  -0.000027   0.109098
    10  C    0.000694   0.074553  -0.014604   4.998458  -0.000137  -0.104565
    11  C   -0.036337  -0.000150  -0.000027  -0.000137   4.439679  -0.000000
    12  H   -0.000014  -0.095765   0.109098  -0.104565  -0.000000   1.319520
    13  H   -0.000006   0.099044   0.197078   0.087233  -0.000001  -0.444910
    14  H   -0.001964  -0.267644   0.069927  -0.484968   0.001941   0.031637
    15  H    0.000956  -0.007179  -0.050239   0.204430   0.000009   0.096564
    16  H    0.000210   0.002769   0.044292   0.342137  -0.000022  -0.152976
    17  H    0.000314  -0.024307  -0.047009  -0.029634   0.000013   0.002494
    18  H    0.000128   0.029961   0.007904   0.013381  -0.000007  -0.001291
    19  H   -0.000077   0.015082   0.014420   0.000866  -0.000049  -0.004609
    20  H    0.000145  -0.058902   0.006907  -0.013246   0.000031   0.002955
    21  H   -0.000015  -0.085615   0.056089  -0.017041   0.000003  -0.010958
    22  H    0.000068   0.568581  -0.050193   0.036128  -0.000028  -0.018854
    23  H    0.008017  -0.014277   0.007865  -0.067739   0.008360  -0.000721
    24  H    0.055594   0.003901   0.003155   0.006362  -0.070767  -0.000238
    25  H   -0.002873  -0.000007  -0.000007   0.000001   0.276278   0.000000
    26  H   -0.006746   0.000003   0.000002  -0.000004   0.278997   0.000000
    27  H    0.000417  -0.000032  -0.000008   0.000012   0.278782   0.000000
              13         14         15         16         17         18
     1  C   -0.116600   0.068376   0.023610  -0.010075   0.277586  -0.025857
     2  C   -0.132951  -0.247140   0.104147  -0.078652   0.311221   0.147988
     3  C    0.024232  -0.503391   0.024884   0.034739  -0.097395  -0.000512
     4  C   -0.005949  -0.440151  -0.129118   0.019853   0.015299  -0.005545
     5  C    0.001461  -0.685800  -0.003758   0.017616  -0.010803   0.003655
     6  C   -0.000039   0.054352   0.003886  -0.000893  -0.000234  -0.000072
     7  O   -0.000006  -0.001964   0.000956   0.000210   0.000314   0.000128
     8  C    0.099044  -0.267644  -0.007179   0.002769  -0.024307   0.029961
     9  C    0.197078   0.069927  -0.050239   0.044292  -0.047009   0.007904
    10  C    0.087233  -0.484968   0.204430   0.342137  -0.029634   0.013381
    11  C   -0.000001   0.001941   0.000009  -0.000022   0.000013  -0.000007
    12  H   -0.444910   0.031637   0.096564  -0.152976   0.002494  -0.001291
    13  H    1.714413  -0.030396  -0.179135   0.091493  -0.040464   0.015138
    14  H   -0.030396   3.766601   0.065669  -0.154211   0.008139  -0.005675
    15  H   -0.179135   0.065669   1.237839  -0.379752  -0.002184   0.003371
    16  H    0.091493  -0.154211  -0.379752   1.532312  -0.002435   0.002114
    17  H   -0.040464   0.008139  -0.002184  -0.002435   0.867962  -0.131571
    18  H    0.015138  -0.005675   0.003371   0.002114  -0.131571   1.064276
    19  H    0.007453   0.001626  -0.001935   0.001504  -0.065964  -0.149733
    20  H   -0.001944   0.033103  -0.000947   0.000516  -0.000083  -0.018254
    21  H    0.001176   0.018950  -0.000939   0.000354  -0.000270   0.004839
    22  H    0.007292  -0.122589  -0.000439   0.002655  -0.002919   0.008827
    23  H    0.000695   0.209868  -0.051051   0.000442   0.015970   0.001074
    24  H    0.000049  -0.180106  -0.002009   0.002907   0.000619   0.000253
    25  H   -0.000000   0.000817   0.000013  -0.000008   0.000001   0.000000
    26  H    0.000000  -0.000100  -0.000000  -0.000000   0.000000   0.000000
    27  H   -0.000000   0.000464   0.000003  -0.000002   0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.087259   0.006173   0.026982  -0.003257   0.000999  -0.000935
     2  C    0.156939   0.189163   0.177787  -0.082238  -0.120234  -0.008204
     3  C    0.002122   0.012266   0.028482  -0.033002   0.009581  -0.169189
     4  C    0.021647   0.009529   0.000985  -0.007798   0.022606  -0.219706
     5  C    0.007033  -0.005530  -0.001445   0.012685  -0.963832   0.731443
     6  C    0.001882   0.000287   0.000019  -0.000123   0.064586  -0.508273
     7  O   -0.000077   0.000145  -0.000015   0.000068   0.008017   0.055594
     8  C    0.015082  -0.058902  -0.085615   0.568581  -0.014277   0.003901
     9  C    0.014420   0.006907   0.056089  -0.050193   0.007865   0.003155
    10  C    0.000866  -0.013246  -0.017041   0.036128  -0.067739   0.006362
    11  C   -0.000049   0.000031   0.000003  -0.000028   0.008360  -0.070767
    12  H   -0.004609   0.002955  -0.010958  -0.018854  -0.000721  -0.000238
    13  H    0.007453  -0.001944   0.001176   0.007292   0.000695   0.000049
    14  H    0.001626   0.033103   0.018950  -0.122589   0.209868  -0.180106
    15  H   -0.001935  -0.000947  -0.000939  -0.000439  -0.051051  -0.002009
    16  H    0.001504   0.000516   0.000354   0.002655   0.000442   0.002907
    17  H   -0.065964  -0.000083  -0.000270  -0.002919   0.015970   0.000619
    18  H   -0.149733  -0.018254   0.004839   0.008827   0.001074   0.000253
    19  H    0.878142   0.022773  -0.016553  -0.001203  -0.023377  -0.001343
    20  H    0.022773   0.786666   0.018259  -0.145125   0.001250  -0.000345
    21  H   -0.016553   0.018259   0.836937  -0.149209   0.001647  -0.000028
    22  H   -0.001203  -0.145125  -0.149209   0.982685  -0.001485   0.002241
    23  H   -0.023377   0.001250   0.001647  -0.001485   1.722731  -0.012692
    24  H   -0.001343  -0.000345  -0.000028   0.002241  -0.012692   1.432674
    25  H   -0.000006   0.000007   0.000000  -0.000000   0.001574  -0.036369
    26  H   -0.000004  -0.000001   0.000000   0.000000  -0.001107   0.010784
    27  H   -0.000006   0.000003   0.000000  -0.000002   0.001110  -0.039549
              25         26         27
     1  C    0.000007   0.000005   0.000028
     2  C    0.000060  -0.000057   0.000078
     3  C    0.002804  -0.000373   0.002864
     4  C   -0.000718  -0.004631   0.000150
     5  C   -0.033682   0.049570  -0.025696
     6  C    0.090201   0.109070   0.080280
     7  O   -0.002873  -0.006746   0.000417
     8  C   -0.000007   0.000003  -0.000032
     9  C   -0.000007   0.000002  -0.000008
    10  C    0.000001  -0.000004   0.000012
    11  C    0.276278   0.278997   0.278782
    12  H    0.000000   0.000000   0.000000
    13  H   -0.000000   0.000000  -0.000000
    14  H    0.000817  -0.000100   0.000464
    15  H    0.000013  -0.000000   0.000003
    16  H   -0.000008  -0.000000  -0.000002
    17  H    0.000001   0.000000   0.000000
    18  H    0.000000   0.000000  -0.000000
    19  H   -0.000006  -0.000004  -0.000006
    20  H    0.000007  -0.000001   0.000003
    21  H    0.000000   0.000000   0.000000
    22  H   -0.000000   0.000000  -0.000002
    23  H    0.001574  -0.001107   0.001110
    24  H   -0.036369   0.010784  -0.039549
    25  H    0.537229  -0.019430   0.045184
    26  H   -0.019430   0.586864  -0.012013
    27  H    0.045184  -0.012013   0.524502
 Mulliken charges:
               1
     1  C    1.453115
     2  C   -3.994004
     3  C    0.564282
     4  C   -0.016628
     5  C   -0.649053
     6  C   -0.455704
     7  O   -0.144675
     8  C    1.085748
     9  C    0.824389
    10  C    0.625704
    11  C    0.432507
    12  H    0.107055
    13  H   -0.294363
    14  H   -0.207336
    15  H    0.043305
    16  H   -0.316887
    17  H   -0.044345
    18  H    0.035609
    19  H    0.220629
    20  H    0.154343
    21  H    0.109564
    22  H   -0.002700
    23  H    0.178141
    24  H   -0.000227
    25  H    0.138925
    26  H    0.009172
    27  H    0.143432
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.665008
     2  C   -3.994004
     3  C    0.356947
     4  C    0.161513
     5  C   -0.649279
     6  C   -0.455704
     7  O   -0.144675
     8  C    1.346955
     9  C    0.637081
    10  C    0.352122
    11  C    0.724036
 Electronic spatial extent (au):  <R**2>=           2525.3807
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.6975    Y=              0.8589    Z=             -2.6548  Tot=              3.2661
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -69.1194   YY=            -69.2344   ZZ=            -70.7188
   XY=              3.6555   XZ=             -9.2124   YZ=              0.5631
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5714   YY=              0.4565   ZZ=             -1.0279
   XY=              3.6555   XZ=             -9.2124   YZ=              0.5631
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             13.6049  YYY=             -0.5937  ZZZ=             -5.4674  XYY=              3.2901
  XXY=             12.4768  XXZ=            -26.7719  XZZ=             -8.5941  YZZ=              0.1522
  YYZ=              1.8595  XYZ=              2.5817
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2528.0970 YYYY=           -461.6159 ZZZZ=           -394.6517 XXXY=             27.0957
 XXXZ=            -86.3639 YYYX=              4.9080 YYYZ=             -1.0157 ZZZX=             -7.0693
 ZZZY=             -0.4834 XXYY=           -509.3861 XXZZ=           -523.4760 YYZZ=           -140.2584
 XXYZ=             13.8380 YYXZ=             -1.7421 ZZXY=              6.3825
 N-N= 6.070736928418D+02 E-N=-2.291613923840D+03  KE= 4.595463178328D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:19:41 2021, MaxMem=  5637144576 cpu:               9.8 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.91470027D-01 3.08381737D-01-9.74521973D-01
 Polarizability= 1.61954153D+02 5.39450538D+00 1.04291144D+02
                -2.77385528D+00-3.01374036D+00 1.09144327D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3972    1.3954        2.7423    2.7403
 2     -1.3972   -1.3954        1.4081    1.4120      -30.3185  -30.3142
 3     -2.7423   -2.7403       28.0622   28.0510       -1.4085   -1.4120
 4     -1.4081   -1.4120        0.0000    0.0000       -2.7431   -2.7403
 5      2.2564    2.2631        2.7431    2.7403        1.3964    1.3954
 6      1.4085    1.4120       -1.3964   -1.3954        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.1863   -4.1863        8.2210    8.2210
 2     -4.2361   -4.2361        0.0000    0.0000        8.2210    8.2210
 3     -4.2361   -4.2361       -4.1863   -4.1863        0.0000    0.0000
 4     -4.1863   -4.1863        4.2361    4.2361      -90.9425  -90.9425
 5     -8.2210   -8.2210       84.1530   84.1530       -4.2361   -4.2361
 6      6.7894    6.7894        8.2210    8.2210        4.1863    4.1863
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1491    0.0000       -6.0167   -5.5818      -10.9587  -10.9613
 2      5.6862    5.5818       -5.9543   -5.6481      121.0467  121.2566
 3     11.0990   10.9613     -112.1559 -112.2040        5.8756    5.6481
 4      5.5187    5.6481       -0.1384    0.0000       11.1647   10.9613
 5     -9.1319   -9.0526      -11.3027  -10.9613       -5.4383   -5.5818
 6     -5.6582   -5.6481        5.0430    5.5818        0.1839    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5401    0.0000      -30.3130  -30.1674      -24.2655  -24.3416
 2     29.8552   30.1674       33.0209   32.2902       13.2888   12.4274
 3     24.8820   24.3416       38.5192   38.7618      -33.0826  -32.2902
 4    -33.0579  -32.2902        0.2539    0.0000       24.6182   24.3416
 5    -51.9392  -51.1892      -26.0103  -24.3416      -29.5324  -30.1674
 6     32.7830   32.2902       30.5431   30.1674        0.0227    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -51.4328  -51.8451      -24.9732  -24.7165        3.9408    3.4843
 2    -82.2836  -81.2379      -52.0146  -51.8760        4.0178    3.4843
 3    -82.2088  -81.2379      -24.8075  -24.7165       -2.9574   -3.6345
 4     26.8959   27.1595       30.0769   29.3928       38.7727   37.4356
 5     -6.8921   -7.1188       34.9016   33.9975      -30.6018  -29.3928
 6    -72.0371  -71.4332        4.9059    7.1188      -26.2606  -27.1595
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9635   -2.8729   -0.0008   -0.0004    0.0002    4.5301
 Low frequencies ---   32.1270   63.4798   78.6601
 Diagonal vibrational polarizability:
       20.2521150      75.1209858      11.1512478
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     32.1132                63.4792                78.6590
 Red. masses --      3.3272                 3.9353                 3.1815
 Frc consts  --      0.0020                 0.0093                 0.0116
 IR Inten    --      2.7823                 1.5390                 0.9613
 RamAct Fr= 1--      1.7778                 0.9876                 0.2592
  Dep-P Fr= 1--      0.7259                 0.7221                 0.4684
  Dep-U Fr= 1--      0.8412                 0.8387                 0.6380
 Alpha2 Fr= 1--      0.0007                 0.0005                 0.0015
 Beta2  Fr= 1--      0.2492                 0.1380                 0.0276
 AlphaG Fr= 1--     -0.0030                 0.0052                 0.0093
 Gamma2 Fr= 1--     -0.1237                 0.0860                 0.3271
 Delta2 Fr= 1--     -0.0426                -0.0401                 0.0796
 Raman1 Fr= 1--       7.111                  3.951                  1.037
 ROA1   Fr= 1--     -13.239                  6.973                 33.947
 CID1   Fr= 1--      -1.862                  1.765                 32.740
 Raman2 Fr= 1--       2.991                  1.657                  0.331
 ROA2   Fr= 1--      -2.629                  2.385                  7.214
 CID2   Fr= 1--      -0.879                  1.440                 21.809
 Raman3 Fr= 1--       5.982                  3.313                  0.662
 ROA3   Fr= 1--     -13.239                  6.973                 33.947
 CID3   Fr= 1--      -2.213                  2.105                 51.317
 RC180  Fr= 1--       0.682                  0.677                  0.276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07  -0.03     0.06  -0.12   0.02     0.23   0.04  -0.01
     2   6     0.04   0.01  -0.02     0.07  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.09  -0.01    -0.01  -0.12  -0.01    -0.02   0.01  -0.11
     4   6    -0.01  -0.11  -0.02    -0.01  -0.15  -0.02    -0.01  -0.02  -0.14
     5   6    -0.03  -0.01   0.01    -0.04  -0.04  -0.00     0.00   0.05  -0.07
     6   6    -0.03   0.00   0.01    -0.04   0.08   0.01    -0.05   0.02   0.03
     7   8     0.01  -0.17  -0.06    -0.05   0.25   0.06    -0.16   0.05   0.05
     8   6     0.11  -0.01  -0.08     0.24   0.05   0.07    -0.08  -0.03   0.01
     9   6    -0.03   0.04   0.06    -0.04   0.09  -0.06     0.01  -0.03   0.15
    10   6    -0.08  -0.03   0.07    -0.13  -0.04  -0.02    -0.01  -0.00  -0.08
    11   6    -0.08   0.27   0.09    -0.05  -0.01  -0.05     0.04  -0.06   0.12
    12   1    -0.04   0.03   0.06     0.03   0.16  -0.09    -0.17  -0.02   0.26
    13   1    -0.02   0.12   0.09    -0.12   0.15  -0.11     0.16  -0.06   0.28
    14   1    -0.02  -0.14  -0.02    -0.01  -0.12  -0.01    -0.06   0.05  -0.10
    15   1    -0.09  -0.01   0.09    -0.21  -0.04  -0.00     0.12  -0.07  -0.15
    16   1    -0.14  -0.07   0.10    -0.17  -0.05  -0.01    -0.12   0.06  -0.13
    17   1     0.04   0.09   0.01    -0.05  -0.17  -0.03     0.29   0.05  -0.01
    18   1     0.12   0.15  -0.03     0.09  -0.06   0.02     0.28   0.05   0.09
    19   1     0.13   0.04  -0.09     0.12  -0.22   0.07     0.25   0.05  -0.14
    20   1     0.16  -0.05  -0.14     0.33  -0.07   0.11    -0.07  -0.01  -0.11
    21   1     0.15   0.07  -0.08     0.30   0.15   0.09    -0.03  -0.04   0.12
    22   1     0.07  -0.06  -0.07     0.23   0.12   0.07    -0.22  -0.07   0.04
    23   1     0.01  -0.20  -0.05     0.00  -0.17  -0.03    -0.01  -0.09  -0.16
    24   1    -0.05   0.08   0.04    -0.06  -0.03   0.00     0.06   0.11  -0.05
    25   1    -0.01   0.44  -0.02    -0.01  -0.16   0.05     0.10  -0.11   0.15
    26   1    -0.07   0.26   0.08    -0.06   0.12  -0.03    -0.02  -0.07   0.20
    27   1    -0.19   0.31   0.27    -0.08  -0.07  -0.23     0.11  -0.07   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.5158               134.1099               156.7667
 Red. masses --      1.1395                 2.3320                 2.9904
 Frc consts  --      0.0090                 0.0247                 0.0433
 IR Inten    --      0.0020                 0.1368                 1.6991
 RamAct Fr= 1--      0.6078                 1.0385                 0.5437
  Dep-P Fr= 1--      0.6980                 0.7225                 0.6467
  Dep-U Fr= 1--      0.8222                 0.8389                 0.7855
 Alpha2 Fr= 1--      0.0006                 0.0005                 0.0010
 Beta2  Fr= 1--      0.0833                 0.1452                 0.0712
 AlphaG Fr= 1--     -0.0020                -0.0016                -0.0047
 Gamma2 Fr= 1--     -0.0594                 0.5710                -0.4322
 Delta2 Fr= 1--      0.0124                 0.0669                -0.1073
 Raman1 Fr= 1--       2.431                  4.154                  2.175
 ROA1   Fr= 1--      -5.303                 56.955                -44.924
 CID1   Fr= 1--      -2.181                 13.711                -20.655
 Raman2 Fr= 1--       0.999                  1.742                  0.854
 ROA2   Fr= 1--      -1.524                 13.168                 -9.514
 CID2   Fr= 1--      -1.524                  7.557                -11.138
 Raman3 Fr= 1--       1.999                  3.485                  1.708
 ROA3   Fr= 1--      -5.303                 56.955                -44.924
 CID3   Fr= 1--      -2.653                 16.344                -26.297
 RC180  Fr= 1--       0.644                  0.678                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01     0.01   0.03  -0.01    -0.04  -0.08  -0.00
     2   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.00  -0.01  -0.02
     3   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.03   0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.05   0.04     0.03   0.09  -0.09
     5   6     0.02  -0.07  -0.03    -0.06   0.24   0.14    -0.01   0.17  -0.09
     6   6     0.00  -0.01  -0.01    -0.01   0.06   0.04    -0.03   0.04  -0.05
     7   8    -0.00  -0.03  -0.01     0.06  -0.07  -0.01    -0.14  -0.06  -0.07
     8   6    -0.02   0.01   0.02     0.02  -0.03  -0.05     0.07   0.03   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01  -0.01  -0.05
    10   6     0.01   0.01   0.00    -0.01  -0.01  -0.05     0.04  -0.04   0.22
    11   6    -0.00   0.05   0.02    -0.02  -0.07  -0.06     0.08  -0.05   0.07
    12   1     0.00   0.00  -0.00    -0.05  -0.00   0.04     0.19  -0.08  -0.16
    13   1     0.00   0.00  -0.00     0.03  -0.03   0.04    -0.13   0.08  -0.15
    14   1    -0.00   0.01  -0.00     0.04   0.01   0.02    -0.12  -0.15  -0.03
    15   1     0.01   0.01   0.00    -0.01  -0.06  -0.08     0.00   0.19   0.37
    16   1     0.01   0.01   0.00    -0.04   0.03  -0.08     0.11  -0.24   0.38
    17   1     0.00  -0.00   0.00    -0.01   0.04   0.01    -0.07  -0.10  -0.03
    18   1    -0.01  -0.01   0.01     0.03   0.06  -0.02    -0.05  -0.09  -0.01
    19   1    -0.02   0.01   0.01     0.03   0.01  -0.04    -0.04  -0.09   0.05
    20   1    -0.03   0.02   0.03     0.03  -0.04  -0.09     0.10  -0.02   0.07
    21   1    -0.02  -0.01   0.02     0.03   0.00  -0.06     0.08   0.06   0.03
    22   1    -0.01   0.02   0.01     0.00  -0.07  -0.04     0.08   0.08   0.02
    23   1    -0.01   0.09   0.02     0.02  -0.33  -0.07     0.11   0.05  -0.11
    24   1     0.03  -0.13  -0.06    -0.12   0.51   0.24     0.01   0.22  -0.07
    25   1     0.35  -0.32   0.31     0.03  -0.37   0.14     0.15  -0.10   0.12
    26   1    -0.09   0.54   0.21    -0.03   0.14  -0.03     0.01  -0.08   0.18
    27   1    -0.24  -0.15  -0.46    -0.06  -0.19  -0.41     0.19  -0.06   0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.1455               245.4155               262.9542
 Red. masses --      1.3354                 1.8317                 2.7569
 Frc consts  --      0.0385                 0.0650                 0.1123
 IR Inten    --      0.1455                 0.7524                 0.1632
 RamAct Fr= 1--      0.4070                 0.5244                 4.1644
  Dep-P Fr= 1--      0.5696                 0.7494                 0.1717
  Dep-U Fr= 1--      0.7258                 0.8567                 0.2930
 Alpha2 Fr= 1--      0.0014                 0.0000                 0.0609
 Beta2  Fr= 1--      0.0492                 0.0749                 0.2034
 AlphaG Fr= 1--     -0.0083                -0.0005                -0.0584
 Gamma2 Fr= 1--     -0.5034                 0.3675                 0.1012
 Delta2 Fr= 1--     -0.0703                 0.2727                -0.0500
 Raman1 Fr= 1--       1.628                  2.098                 16.658
 ROA1   Fr= 1--     -50.576                 44.007                  8.113
 CID1   Fr= 1--     -31.065                 20.979                  0.487
 Raman2 Fr= 1--       0.591                  0.899                  2.441
 ROA2   Fr= 1--     -11.518                  6.638                  2.829
 CID2   Fr= 1--     -19.496                  7.387                  1.159
 Raman3 Fr= 1--       1.182                  1.797                  4.881
 ROA3   Fr= 1--     -50.576                 44.007                  8.113
 CID3   Fr= 1--     -42.802                 24.487                  1.662
 RC180  Fr= 1--       0.452                  0.713                 -0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.03    -0.11   0.07   0.08    -0.12   0.02   0.02
     2   6     0.01   0.02  -0.03     0.02  -0.01   0.07    -0.04   0.01   0.01
     3   6     0.00  -0.03  -0.02     0.01  -0.00   0.05    -0.03  -0.05  -0.01
     4   6     0.01  -0.05  -0.02     0.03  -0.03  -0.01     0.05  -0.13  -0.10
     5   6     0.01  -0.00   0.02    -0.00   0.01  -0.06     0.07  -0.00  -0.03
     6   6     0.02   0.00   0.01    -0.01   0.01  -0.05     0.10   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.01  -0.04     0.11   0.05  -0.01
     8   6    -0.10   0.02   0.03     0.09  -0.05  -0.03    -0.09  -0.00   0.01
     9   6    -0.01   0.04  -0.03     0.01  -0.01   0.06    -0.08   0.06   0.02
    10   6    -0.03   0.00   0.05     0.00  -0.00  -0.08    -0.13   0.01   0.02
    11   6     0.01   0.00  -0.00     0.05   0.00   0.03     0.18   0.01   0.06
    12   1     0.06   0.04  -0.07    -0.09   0.03   0.13    -0.09   0.08   0.03
    13   1    -0.07   0.09  -0.07     0.10  -0.07   0.12    -0.08   0.09   0.03
    14   1     0.00  -0.06  -0.03    -0.00   0.08   0.07    -0.08  -0.04  -0.01
    15   1    -0.06   0.07   0.10     0.01  -0.14  -0.17    -0.16   0.01   0.02
    16   1    -0.03  -0.07   0.10    -0.03   0.12  -0.18    -0.18  -0.01   0.03
    17   1    -0.05  -0.03  -0.03    -0.24   0.08   0.16     0.08   0.05   0.01
    18   1     0.14   0.12   0.00    -0.14   0.16  -0.06    -0.24  -0.21  -0.01
    19   1     0.16  -0.12  -0.06    -0.10   0.03   0.13    -0.29   0.21   0.08
    20   1    -0.38   0.26   0.41    -0.06   0.06   0.28    -0.03  -0.03  -0.20
    21   1    -0.39  -0.32  -0.24    -0.13  -0.16  -0.38     0.01   0.05   0.17
    22   1     0.31   0.11  -0.04     0.52  -0.07  -0.08    -0.33  -0.05   0.04
    23   1     0.01  -0.11  -0.04     0.09  -0.06  -0.03     0.09  -0.29  -0.16
    24   1     0.01   0.05   0.04    -0.04   0.04  -0.05     0.07   0.15   0.03
    25   1    -0.00  -0.00  -0.00     0.10   0.01   0.03     0.26   0.03   0.06
    26   1     0.01   0.00  -0.01     0.00  -0.03   0.09     0.11  -0.03   0.16
    27   1     0.00  -0.00  -0.00     0.09   0.01   0.03     0.24   0.03   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    286.5650               319.1396               344.6984
 Red. masses --      1.1104                 2.3261                 2.5115
 Frc consts  --      0.0537                 0.1396                 0.1758
 IR Inten    --      0.0607                 1.0713                 2.2778
 RamAct Fr= 1--      0.5510                 1.8047                 0.2628
  Dep-P Fr= 1--      0.1949                 0.4982                 0.2672
  Dep-U Fr= 1--      0.3263                 0.6650                 0.4217
 Alpha2 Fr= 1--      0.0076                 0.0090                 0.0030
 Beta2  Fr= 1--      0.0300                 0.2000                 0.0185
 AlphaG Fr= 1--     -0.0044                 0.0466                -0.0130
 Gamma2 Fr= 1--     -0.0082                 0.0882                -0.4480
 Delta2 Fr= 1--      0.0046                -0.0287                -0.1672
 Raman1 Fr= 1--       2.204                  7.219                  1.051
 ROA1   Fr= 1--      -0.642                  7.551                -48.358
 CID1   Fr= 1--      -0.291                  1.046                -46.008
 Raman2 Fr= 1--       0.360                  2.400                  0.222
 ROA2   Fr= 1--      -0.235                  2.348                 -9.414
 CID2   Fr= 1--      -0.653                  0.978                -42.478
 Raman3 Fr= 1--       0.719                  4.801                  0.443
 ROA3   Fr= 1--      -0.642                  7.551                -48.358
 CID3   Fr= 1--      -0.892                  1.573               -109.096
 RC180  Fr= 1--      -0.347                  0.330                 -0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.03  -0.14  -0.04     0.12  -0.02   0.05
     2   6     0.03   0.01  -0.00    -0.04  -0.01  -0.04     0.00  -0.02   0.06
     3   6     0.02  -0.01   0.00    -0.06   0.01  -0.04     0.01  -0.02   0.13
     4   6     0.01  -0.03   0.00    -0.06   0.16   0.01     0.01   0.05   0.15
     5   6    -0.01  -0.00   0.00     0.01   0.03   0.02    -0.04   0.01  -0.00
     6   6    -0.03  -0.00   0.00     0.04   0.02   0.03    -0.01   0.04  -0.07
     7   8    -0.03  -0.01   0.01     0.09  -0.02   0.01    -0.05   0.00  -0.08
     8   6     0.01   0.01   0.01     0.07  -0.00  -0.07    -0.05  -0.10  -0.07
     9   6     0.03   0.01  -0.01    -0.09   0.00   0.11    -0.03   0.07  -0.11
    10   6     0.02   0.00   0.01    -0.09  -0.00   0.01    -0.08  -0.00  -0.05
    11   6    -0.04  -0.00  -0.02     0.05  -0.00   0.02     0.09   0.00   0.04
    12   1     0.04   0.02  -0.02    -0.26  -0.07   0.20     0.13   0.22  -0.17
    13   1     0.02   0.02  -0.02     0.06   0.04   0.27    -0.18   0.06  -0.26
    14   1     0.03  -0.01   0.00    -0.06  -0.05  -0.06     0.08  -0.01   0.14
    15   1     0.01   0.01   0.01    -0.04  -0.06  -0.04    -0.24  -0.11  -0.07
    16   1     0.02  -0.01   0.01    -0.17   0.04  -0.03    -0.03   0.09  -0.12
    17   1     0.54   0.10  -0.06     0.16  -0.19  -0.19     0.27  -0.02  -0.00
    18   1    -0.20  -0.50   0.06    -0.01  -0.32   0.06     0.17  -0.08   0.20
    19   1    -0.34   0.45  -0.01    -0.05  -0.08   0.02     0.12   0.02  -0.07
    20   1    -0.05   0.07   0.12     0.04  -0.00   0.13    -0.08  -0.03  -0.22
    21   1    -0.06  -0.07  -0.08    -0.03  -0.00  -0.30    -0.06  -0.09  -0.09
    22   1     0.14   0.04  -0.01     0.35   0.00  -0.11    -0.10  -0.27  -0.04
    23   1     0.01  -0.05  -0.01    -0.12   0.35   0.08     0.09   0.18   0.18
    24   1    -0.02   0.02   0.01     0.09  -0.14  -0.04    -0.14  -0.11  -0.04
    25   1    -0.07  -0.01  -0.02     0.05  -0.02   0.03     0.18   0.00   0.05
    26   1    -0.03   0.01  -0.04     0.04  -0.03   0.03     0.00  -0.07   0.16
    27   1    -0.07  -0.01  -0.02     0.09   0.00   0.00     0.20   0.02   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    365.5603               412.3104               441.7611
 Red. masses --      2.3287                 2.6408                 2.2692
 Frc consts  --      0.1833                 0.2645                 0.2609
 IR Inten    --      0.1812                 1.8293                 0.4321
 RamAct Fr= 1--      1.4108                 2.3704                 0.2972
  Dep-P Fr= 1--      0.3868                 0.2294                 0.7485
  Dep-U Fr= 1--      0.5578                 0.3732                 0.8562
 Alpha2 Fr= 1--      0.0109                 0.0297                 0.0000
 Beta2  Fr= 1--      0.1312                 0.1474                 0.0424
 AlphaG Fr= 1--      0.0305                -0.0183                -0.0017
 Gamma2 Fr= 1--      0.1047                 0.4103                 0.3116
 Delta2 Fr= 1--      0.1277                 0.0975                 0.1715
 Raman1 Fr= 1--       5.643                  9.482                  1.189
 ROA1   Fr= 1--      14.138                 42.509                 35.399
 CID1   Fr= 1--       2.505                  4.483                 29.779
 Raman2 Fr= 1--       1.574                  1.769                  0.509
 ROA2   Fr= 1--       1.491                  9.067                  6.105
 CID2   Fr= 1--       0.948                  5.125                 11.998
 Raman3 Fr= 1--       3.148                  3.538                  1.018
 ROA3   Fr= 1--      14.138                 42.509                 35.399
 CID3   Fr= 1--       4.491                 12.014                 34.782
 RC180  Fr= 1--       0.116                 -0.254                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.16  -0.07    -0.04  -0.05  -0.13    -0.05   0.02  -0.00
     2   6    -0.06  -0.07  -0.03     0.05   0.05  -0.13     0.14  -0.02  -0.02
     3   6    -0.05  -0.07  -0.01     0.07  -0.04   0.04     0.07  -0.12  -0.03
     4   6    -0.05   0.06   0.03     0.02  -0.08   0.17     0.06   0.10  -0.01
     5   6    -0.02   0.01   0.01    -0.07  -0.03   0.05     0.06   0.06  -0.03
     6   6     0.01   0.03  -0.01    -0.03   0.03  -0.08     0.01   0.06   0.06
     7   8     0.05  -0.00  -0.03    -0.06   0.02  -0.08    -0.04  -0.06   0.03
     8   6     0.05   0.04   0.15    -0.05   0.13   0.02    -0.04  -0.04   0.05
     9   6    -0.05  -0.10  -0.06     0.04   0.00   0.09     0.04   0.10   0.02
    10   6    -0.03  -0.10  -0.04     0.03  -0.01   0.01    -0.09  -0.07  -0.03
    11   6     0.06  -0.00   0.03     0.06   0.00   0.02    -0.05  -0.00  -0.04
    12   1    -0.02  -0.09  -0.07    -0.18  -0.16   0.18     0.02   0.16   0.04
    13   1    -0.07  -0.13  -0.09     0.23   0.09   0.29     0.03   0.20   0.05
    14   1    -0.04  -0.08  -0.02     0.24  -0.13   0.03     0.05  -0.19  -0.05
    15   1    -0.06  -0.12  -0.05     0.04  -0.15  -0.08    -0.16  -0.18  -0.08
    16   1    -0.01  -0.07  -0.07    -0.03   0.09  -0.08    -0.22   0.01  -0.09
    17   1     0.15   0.30   0.15    -0.12  -0.12  -0.22    -0.18   0.04   0.09
    18   1     0.05   0.22  -0.08    -0.07  -0.08  -0.17    -0.15   0.05  -0.23
    19   1    -0.00   0.28  -0.31    -0.03  -0.11   0.02    -0.10   0.04   0.15
    20   1     0.10  -0.08   0.38    -0.07   0.15   0.05    -0.13   0.09  -0.05
    21   1     0.07   0.03   0.21    -0.02   0.02   0.20    -0.05  -0.22   0.22
    22   1     0.11   0.30   0.12    -0.17   0.30   0.02    -0.21  -0.02   0.07
    23   1    -0.07   0.18   0.07     0.04  -0.08   0.16     0.06   0.37   0.08
    24   1    -0.01  -0.10  -0.03    -0.24  -0.04   0.04     0.16  -0.18  -0.11
    25   1     0.10  -0.01   0.04     0.16   0.01   0.03    -0.23  -0.07  -0.02
    26   1     0.01  -0.06   0.09    -0.03  -0.06   0.16     0.05  -0.00  -0.19
    27   1     0.14   0.01   0.02     0.17   0.02   0.03    -0.06  -0.02  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    514.1255               585.6902               594.9856
 Red. masses --      2.8326                 2.5264                 2.9181
 Frc consts  --      0.4411                 0.5106                 0.6086
 IR Inten    --     13.2130                 1.8589                 7.3963
 RamAct Fr= 1--      1.1726                 1.9465                 4.2079
  Dep-P Fr= 1--      0.2654                 0.0504                 0.7360
  Dep-U Fr= 1--      0.4195                 0.0960                 0.8480
 Alpha2 Fr= 1--      0.0133                 0.0384                 0.0010
 Beta2  Fr= 1--      0.0820                 0.0311                 0.5947
 AlphaG Fr= 1--     -0.0137                -0.1560                -0.0122
 Gamma2 Fr= 1--     -0.5972                 0.1150                -0.6192
 Delta2 Fr= 1--     -0.1949                -0.2738                 0.2208
 Raman1 Fr= 1--       4.691                  7.786                 16.832
 ROA1   Fr= 1--     -63.569                  2.278                -52.377
 CID1   Fr= 1--     -13.553                  0.293                 -3.112
 Raman2 Fr= 1--       0.984                  0.374                  7.136
 ROA2   Fr= 1--     -12.774                  4.950                -16.627
 CID2   Fr= 1--     -12.983                 13.243                 -2.330
 Raman3 Fr= 1--       1.968                  0.748                 14.273
 ROA3   Fr= 1--     -63.569                  2.278                -52.377
 CID3   Fr= 1--     -32.305                  3.047                 -3.670
 RC180  Fr= 1--      -0.161                 -0.808                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.07     0.01   0.00   0.06    -0.01  -0.01  -0.06
     2   6    -0.13   0.00  -0.03    -0.06   0.06   0.03    -0.01  -0.08  -0.01
     3   6     0.02   0.00   0.16    -0.02  -0.02   0.03     0.04   0.08  -0.10
     4   6     0.16   0.01   0.01     0.02  -0.09  -0.04    -0.00  -0.05   0.06
     5   6     0.13   0.04  -0.06     0.02  -0.08  -0.04     0.03  -0.07   0.09
     6   6     0.09  -0.06   0.03    -0.04   0.25   0.10     0.05   0.11   0.03
     7   8    -0.12  -0.02   0.07     0.02  -0.08  -0.02    -0.13  -0.05  -0.01
     8   6    -0.01   0.06  -0.01    -0.03   0.11  -0.05     0.03  -0.15   0.06
     9   6    -0.11  -0.06  -0.01     0.01  -0.05  -0.01    -0.09   0.02   0.00
    10   6    -0.05  -0.01   0.00     0.03  -0.02  -0.01    -0.01   0.15   0.00
    11   6     0.00   0.03  -0.08    -0.01   0.02   0.01     0.11   0.06  -0.09
    12   1    -0.20  -0.13   0.03     0.03  -0.08  -0.03    -0.19   0.07   0.07
    13   1    -0.02  -0.08   0.06    -0.01  -0.10  -0.05     0.02  -0.03   0.09
    14   1     0.04  -0.03   0.15    -0.04  -0.02   0.03     0.12   0.18  -0.06
    15   1    -0.17  -0.19  -0.08     0.03  -0.08  -0.04     0.04   0.47   0.18
    16   1     0.03   0.15  -0.12     0.06   0.03  -0.05     0.03  -0.14   0.24
    17   1     0.12  -0.03  -0.14     0.04  -0.05  -0.05    -0.00   0.06   0.07
    18   1     0.12   0.00   0.14     0.06  -0.02   0.19    -0.03   0.04  -0.14
    19   1     0.09  -0.04  -0.24     0.05  -0.04   0.04    -0.03   0.05  -0.14
    20   1     0.06  -0.05   0.08     0.01   0.07  -0.06     0.06  -0.19   0.11
    21   1     0.02   0.15  -0.03    -0.02   0.18  -0.12     0.04  -0.14   0.07
    22   1     0.04   0.14  -0.03     0.02   0.06  -0.05     0.05  -0.10   0.06
    23   1     0.37  -0.09  -0.04     0.03   0.07   0.02    -0.15  -0.04   0.08
    24   1     0.15   0.17  -0.01     0.06  -0.24  -0.10    -0.05  -0.12   0.07
    25   1    -0.12   0.06  -0.12    -0.40  -0.30   0.17    -0.09  -0.07  -0.03
    26   1     0.15   0.20  -0.29     0.06  -0.28  -0.11     0.20  -0.01  -0.22
    27   1    -0.26  -0.00  -0.05     0.42  -0.01  -0.27     0.21   0.04  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.6607               729.6673               800.7121
 Red. masses --      3.4855                 1.9784                 1.8776
 Frc consts  --      0.8168                 0.6206                 0.7092
 IR Inten    --      6.9052                 0.8473                 1.3251
 RamAct Fr= 1--     10.3471                 7.6918                17.7694
  Dep-P Fr= 1--      0.0422                 0.0211                 0.4078
  Dep-U Fr= 1--      0.0810                 0.0413                 0.5794
 Alpha2 Fr= 1--      0.2082                 0.1627                 0.1280
 Beta2  Fr= 1--      0.1396                 0.0529                 1.7159
 AlphaG Fr= 1--      0.1662                 0.0900                -0.0336
 Gamma2 Fr= 1--      0.9547                -0.3496                -0.8460
 Delta2 Fr= 1--     -0.3739                 0.3688                 0.2953
 Raman1 Fr= 1--      41.388                 30.767                 71.078
 ROA1   Fr= 1--      79.686                -21.763                -71.767
 CID1   Fr= 1--       1.925                 -0.707                 -1.010
 Raman2 Fr= 1--       1.676                  0.635                 20.590
 ROA2   Fr= 1--      25.904                -11.341                -22.667
 CID2   Fr= 1--      15.461                -17.857                 -1.101
 Raman3 Fr= 1--       3.351                  1.270                 41.181
 ROA3   Fr= 1--      79.686                -21.763                -71.767
 CID3   Fr= 1--      23.779                -17.134                 -1.743
 RC180  Fr= 1--      -0.838                 -0.917                  0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.13     0.02   0.01   0.13     0.02   0.00  -0.00
     2   6     0.01   0.07   0.03    -0.00   0.01   0.00     0.12   0.01  -0.02
     3   6    -0.07  -0.06  -0.10     0.09  -0.09  -0.08    -0.10   0.01   0.13
     4   6    -0.11   0.01   0.01     0.07  -0.01   0.04    -0.07   0.02  -0.04
     5   6    -0.00  -0.00   0.14     0.02   0.06   0.02    -0.06  -0.03  -0.05
     6   6     0.11  -0.05   0.00    -0.01  -0.02  -0.03     0.00  -0.01   0.04
     7   8    -0.15  -0.02   0.04     0.01   0.01  -0.02     0.01  -0.01   0.04
     8   6    -0.02   0.13  -0.06    -0.02   0.09  -0.04     0.04   0.01  -0.01
     9   6     0.08  -0.04   0.01    -0.08  -0.07  -0.06    -0.03  -0.01  -0.09
    10   6    -0.00  -0.13  -0.01    -0.03   0.03  -0.06     0.04  -0.01  -0.03
    11   6     0.19   0.07  -0.14    -0.05  -0.03   0.03     0.06   0.03  -0.03
    12   1     0.24  -0.03  -0.09    -0.37  -0.02   0.12    -0.41   0.01   0.14
    13   1    -0.08  -0.02  -0.13     0.19  -0.27   0.12     0.32  -0.10   0.21
    14   1    -0.12  -0.09  -0.11     0.18  -0.04  -0.07    -0.21  -0.03   0.11
    15   1     0.10  -0.17  -0.06    -0.15   0.38   0.19    -0.25   0.10   0.12
    16   1    -0.12  -0.10  -0.05     0.09  -0.35   0.24     0.42  -0.09   0.04
    17   1    -0.01  -0.03   0.05     0.02   0.02   0.14    -0.02  -0.00   0.01
    18   1    -0.00  -0.03   0.14     0.02   0.01   0.14    -0.03  -0.02  -0.10
    19   1     0.01  -0.01   0.24     0.01   0.01   0.15    -0.01   0.01   0.11
    20   1    -0.04   0.15  -0.11    -0.03   0.11  -0.06    -0.13   0.22  -0.10
    21   1    -0.04   0.16  -0.13    -0.03   0.09  -0.06    -0.03  -0.25   0.12
    22   1     0.01   0.04  -0.06    -0.02   0.07  -0.04    -0.12  -0.02   0.02
    23   1    -0.32   0.02   0.03     0.06   0.16   0.10    -0.00  -0.07  -0.07
    24   1    -0.03  -0.06   0.11     0.03  -0.15  -0.05    -0.05   0.13   0.00
    25   1     0.21   0.15  -0.19     0.05   0.04  -0.01    -0.01  -0.01  -0.01
    26   1     0.27   0.23  -0.25    -0.09   0.02   0.08     0.11   0.03  -0.10
    27   1    -0.03   0.06  -0.06    -0.12  -0.02   0.09     0.07   0.02  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    853.6635               880.8793               904.7358
 Red. masses --      2.1341                 1.9150                 1.9728
 Frc consts  --      0.9163                 0.8755                 0.9515
 IR Inten    --      0.7985                 0.7217                 7.4362
 RamAct Fr= 1--      2.6162                 6.5806                17.7574
  Dep-P Fr= 1--      0.6245                 0.7271                 0.4720
  Dep-U Fr= 1--      0.7689                 0.8420                 0.6413
 Alpha2 Fr= 1--      0.0060                 0.0026                 0.0994
 Beta2  Fr= 1--      0.3353                 0.9235                 1.8980
 AlphaG Fr= 1--      0.0878                -0.0115                 0.0452
 Gamma2 Fr= 1--      1.0204                -0.7860                -1.8553
 Delta2 Fr= 1--     -0.9129                 1.0279                -0.7526
 Raman1 Fr= 1--      10.465                 26.322                 71.030
 ROA1   Fr= 1--      68.742                -42.564               -202.189
 CID1   Fr= 1--       6.569                 -1.617                 -2.847
 Raman2 Fr= 1--       4.023                 11.081                 22.776
 ROA2   Fr= 1--      31.793                -27.087                -38.505
 CID2   Fr= 1--       7.903                 -2.444                 -1.691
 Raman3 Fr= 1--       8.046                 22.163                 45.553
 ROA3   Fr= 1--      68.742                -42.564               -202.189
 CID3   Fr= 1--       8.543                 -1.921                 -4.439
 RC180  Fr= 1--       0.538                  0.684                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.05    -0.05  -0.00  -0.03    -0.01  -0.00   0.08
     2   6     0.08  -0.03  -0.03    -0.10  -0.00   0.03    -0.04  -0.00  -0.05
     3   6     0.01   0.11  -0.03    -0.00  -0.01  -0.00     0.01  -0.04  -0.01
     4   6     0.03   0.12   0.06    -0.00   0.06   0.02    -0.01   0.03  -0.06
     5   6     0.08  -0.14  -0.00     0.02  -0.06  -0.01     0.12  -0.04   0.14
     6   6     0.01   0.02  -0.03     0.00  -0.00  -0.00    -0.01   0.01  -0.04
     7   8    -0.01   0.01  -0.04    -0.00   0.00  -0.00    -0.03   0.02  -0.06
     8   6     0.02   0.03  -0.03    -0.05  -0.02   0.02     0.00  -0.04   0.00
     9   6    -0.05  -0.08   0.00     0.16   0.12  -0.01    -0.05   0.08  -0.06
    10   6    -0.09  -0.08   0.01    -0.01  -0.12  -0.07     0.09   0.01   0.06
    11   6    -0.05   0.02   0.03    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    12   1     0.06  -0.10  -0.07    -0.12   0.26   0.18    -0.26  -0.13   0.02
    13   1    -0.15  -0.02  -0.07     0.35   0.12   0.17     0.13   0.24   0.17
    14   1     0.07   0.11  -0.03    -0.02   0.08   0.02    -0.14  -0.31  -0.10
    15   1     0.01  -0.03   0.01    -0.18   0.16   0.16    -0.08  -0.28  -0.08
    16   1    -0.21  -0.12   0.04    -0.00  -0.40   0.16     0.27   0.30  -0.17
    17   1    -0.05   0.03   0.13     0.07  -0.01  -0.09     0.07   0.04   0.12
    18   1    -0.06  -0.01  -0.14     0.08   0.03   0.20     0.06   0.05   0.17
    19   1    -0.04   0.05   0.18     0.05  -0.05  -0.22     0.03   0.01  -0.08
    20   1    -0.06   0.13  -0.05     0.11  -0.22   0.09     0.01  -0.05   0.03
    21   1    -0.01  -0.08   0.04     0.02   0.23  -0.11     0.01  -0.05   0.04
    22   1    -0.05   0.06  -0.02     0.10  -0.02  -0.00    -0.02   0.01   0.00
    23   1     0.04  -0.30  -0.08     0.03  -0.11  -0.04    -0.21  -0.04  -0.07
    24   1    -0.05   0.62   0.27    -0.04   0.26   0.10     0.24   0.07   0.18
    25   1    -0.17  -0.12   0.11    -0.06  -0.04   0.04     0.10  -0.01   0.01
    26   1    -0.06  -0.12   0.03    -0.00  -0.04  -0.01    -0.20  -0.11   0.19
    27   1     0.13   0.00  -0.09     0.05   0.00  -0.04     0.12   0.03   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    915.7661               950.4378               958.9494
 Red. masses --      2.4832                 2.0266                 1.6126
 Frc consts  --      1.2269                 1.0786                 0.8737
 IR Inten    --      0.7214                20.6559                17.2748
 RamAct Fr= 1--     12.7828                 9.5711                13.5390
  Dep-P Fr= 1--      0.4908                 0.6195                 0.3804
  Dep-U Fr= 1--      0.6584                 0.7651                 0.5512
 Alpha2 Fr= 1--      0.0659                 0.0228                 0.1074
 Beta2  Fr= 1--      1.4027                 1.2204                 1.2437
 AlphaG Fr= 1--      0.3127                 0.0783                 0.3009
 Gamma2 Fr= 1--      1.4971                 2.1968                 2.3094
 Delta2 Fr= 1--      0.7746                -1.1376                 0.8634
 Raman1 Fr= 1--      51.131                 38.284                 54.156
 ROA1   Fr= 1--     168.514                174.490                249.328
 CID1   Fr= 1--       3.296                  4.558                  4.604
 Raman2 Fr= 1--      16.833                 14.645                 14.925
 ROA2   Fr= 1--      29.734                 61.824                 48.518
 CID2   Fr= 1--       1.766                  4.221                  3.251
 Raman3 Fr= 1--      33.666                 29.291                 29.850
 ROA3   Fr= 1--     168.514                174.490                249.328
 CID3   Fr= 1--       5.006                  5.957                  8.353
 RC180  Fr= 1--       0.317                  0.530                  0.102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.13    -0.01   0.06   0.00    -0.01   0.08   0.07
     2   6     0.06   0.04   0.08    -0.01   0.07  -0.01    -0.00   0.03  -0.08
     3   6    -0.08   0.08   0.07     0.04  -0.01   0.01    -0.04   0.07   0.00
     4   6     0.04  -0.05  -0.05    -0.02   0.02  -0.03     0.01  -0.03   0.01
     5   6     0.13   0.04   0.16     0.00  -0.02   0.01    -0.00   0.03   0.01
     6   6     0.02   0.03  -0.05    -0.06  -0.02   0.02     0.06   0.02  -0.02
     7   8    -0.04   0.02  -0.08     0.00  -0.01   0.03    -0.00   0.01  -0.04
     8   6     0.03   0.03   0.03     0.01  -0.07   0.01     0.02  -0.09  -0.04
     9   6     0.03  -0.05   0.01     0.14  -0.10  -0.05     0.00   0.01  -0.02
    10   6    -0.06  -0.07  -0.03    -0.13   0.11   0.05    -0.01  -0.06  -0.00
    11   6    -0.07  -0.03   0.00     0.00   0.03  -0.07    -0.00  -0.03   0.07
    12   1     0.04   0.14   0.04     0.05  -0.20  -0.01    -0.03  -0.12  -0.03
    13   1     0.02  -0.21  -0.05     0.27  -0.38  -0.04     0.01   0.19   0.05
    14   1    -0.27   0.29   0.12     0.03  -0.13  -0.03    -0.03   0.15   0.03
    15   1    -0.12   0.09   0.09    -0.33  -0.03   0.01     0.09  -0.01   0.00
    16   1     0.01  -0.21   0.08    -0.29   0.18  -0.00    -0.06  -0.09   0.02
    17   1    -0.05  -0.05  -0.22    -0.02  -0.10  -0.30     0.01  -0.11  -0.29
    18   1    -0.04  -0.05  -0.16     0.02  -0.08   0.19     0.04  -0.09   0.33
    19   1    -0.01  -0.03  -0.01     0.06  -0.08   0.18     0.08  -0.10   0.24
    20   1    -0.06   0.17  -0.13     0.04  -0.13   0.13     0.01  -0.13   0.23
    21   1    -0.04  -0.05  -0.04     0.05  -0.08   0.11     0.09  -0.26   0.27
    22   1    -0.01  -0.19   0.05     0.00   0.08  -0.00    -0.09   0.33  -0.07
    23   1    -0.11   0.07   0.00    -0.02   0.01  -0.03    -0.02  -0.04   0.01
    24   1     0.33  -0.39   0.01     0.09   0.11   0.05    -0.06  -0.22  -0.08
    25   1     0.09   0.02  -0.01     0.20   0.02  -0.04    -0.21  -0.01   0.03
    26   1    -0.19  -0.06   0.18    -0.13  -0.07   0.13     0.14   0.08  -0.13
    27   1    -0.03   0.00   0.08     0.21   0.07  -0.04    -0.24  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    967.8161               970.5744              1004.6074
 Red. masses --      1.7959                 1.6004                 1.4682
 Frc consts  --      0.9911                 0.8882                 0.8730
 IR Inten    --     22.8571                 4.1254                 0.7502
 RamAct Fr= 1--     16.9127                11.0065                10.8718
  Dep-P Fr= 1--      0.2085                 0.3923                 0.3282
  Dep-U Fr= 1--      0.3451                 0.5636                 0.4942
 Alpha2 Fr= 1--      0.2245                 0.0838                 0.1023
 Beta2  Fr= 1--      0.9727                 1.0338                 0.8955
 AlphaG Fr= 1--     -0.7113                 0.2029                 0.2433
 Gamma2 Fr= 1--     -5.5658                 2.3385                 4.5856
 Delta2 Fr= 1--     -3.1555                 0.9497                 1.1511
 Raman1 Fr= 1--      67.651                 44.026                 43.487
 ROA1   Fr= 1--    -635.289                254.883                477.052
 CID1   Fr= 1--      -9.391                  5.789                 10.970
 Raman2 Fr= 1--      11.672                 12.406                 10.746
 ROA2   Fr= 1--    -108.334                 48.525                100.846
 CID2   Fr= 1--      -9.281                  3.912                  9.385
 Raman3 Fr= 1--      23.345                 24.811                 21.492
 ROA3   Fr= 1--    -635.289                254.883                477.052
 CID3   Fr= 1--     -27.213                 10.273                 22.197
 RC180  Fr= 1--      -0.310                  0.127                 -0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.02  -0.08   0.04     0.08  -0.04   0.03
     2   6    -0.01   0.05   0.05     0.01  -0.04  -0.03     0.01  -0.08  -0.03
     3   6    -0.02  -0.10  -0.03     0.01   0.08   0.00    -0.03   0.03   0.05
     4   6    -0.03   0.03   0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.02
     5   6     0.01  -0.04   0.01    -0.02   0.02   0.00     0.01   0.01   0.02
     6   6     0.10   0.03  -0.04     0.04   0.02  -0.01     0.01   0.01  -0.01
     7   8    -0.01   0.02  -0.07    -0.00   0.01  -0.03    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.05     0.01   0.03   0.01    -0.09   0.01  -0.08
     9   6     0.01  -0.02   0.00     0.10  -0.02  -0.07     0.05   0.00   0.02
    10   6     0.02   0.09   0.01    -0.08   0.02   0.06    -0.02   0.04   0.00
    11   6    -0.01  -0.04   0.12     0.01  -0.02   0.06    -0.01  -0.00   0.01
    12   1     0.02   0.11   0.02    -0.09  -0.35  -0.02     0.08   0.26   0.06
    13   1     0.03  -0.31  -0.08     0.29   0.10   0.14     0.02  -0.11  -0.05
    14   1    -0.10  -0.31  -0.09    -0.03   0.06  -0.01    -0.06  -0.09   0.01
    15   1    -0.14  -0.01  -0.01    -0.13  -0.10  -0.01    -0.20   0.02   0.04
    16   1     0.12   0.16  -0.05    -0.26   0.13  -0.02     0.14   0.07  -0.02
    17   1    -0.07  -0.05  -0.18     0.10   0.15   0.41    -0.11   0.05   0.26
    18   1    -0.04  -0.06  -0.08     0.05   0.16  -0.05    -0.11  -0.02  -0.37
    19   1    -0.01  -0.01   0.13    -0.03   0.08  -0.34    -0.08   0.09   0.22
    20   1     0.03  -0.03  -0.05    -0.03   0.10  -0.13     0.14  -0.33   0.25
    21   1    -0.02   0.10  -0.10    -0.04   0.03  -0.09     0.08   0.25   0.02
    22   1     0.07  -0.20   0.06     0.01  -0.15   0.03     0.07   0.42  -0.15
    23   1    -0.13   0.04   0.02    -0.08  -0.04  -0.01    -0.01  -0.05  -0.03
    24   1    -0.18   0.24   0.11    -0.08  -0.19  -0.07     0.06  -0.12  -0.02
    25   1    -0.38  -0.06   0.08    -0.16  -0.01   0.02    -0.02  -0.00   0.01
    26   1     0.22   0.10  -0.22     0.13   0.08  -0.12    -0.00  -0.00   0.00
    27   1    -0.32  -0.12   0.03    -0.19  -0.06   0.03    -0.02  -0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1022.7939              1030.4061              1052.3867
 Red. masses --      1.5494                 1.4418                 1.6726
 Frc consts  --      0.9550                 0.9020                 1.0915
 IR Inten    --      6.6896                21.3076                 1.3480
 RamAct Fr= 1--      5.0687                 4.0349                 4.5967
  Dep-P Fr= 1--      0.2204                 0.7483                 0.6732
  Dep-U Fr= 1--      0.3612                 0.8560                 0.8047
 Alpha2 Fr= 1--      0.0652                 0.0001                 0.0062
 Beta2  Fr= 1--      0.3052                 0.5756                 0.6165
 AlphaG Fr= 1--     -0.4446                -0.0330                -0.2341
 Gamma2 Fr= 1--     -3.5558                -1.5060                -1.6211
 Delta2 Fr= 1--     -0.5807                -0.9671                -0.1247
 Raman1 Fr= 1--      20.275                 16.139                 18.387
 ROA1   Fr= 1--    -359.938               -175.527               -159.614
 CID1   Fr= 1--     -17.753                -10.876                 -8.681
 Raman2 Fr= 1--       3.662                  6.908                  7.398
 ROA2   Fr= 1--     -80.693                -28.408                -37.909
 CID2   Fr= 1--     -22.035                 -4.113                 -5.124
 Raman3 Fr= 1--       7.324                 13.815                 14.796
 ROA3   Fr= 1--    -359.938               -175.527               -159.614
 CID3   Fr= 1--     -49.145                -12.705                -10.788
 RC180  Fr= 1--      -0.278                  0.712                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.04  -0.01     0.03   0.01   0.00     0.01  -0.00   0.00
     2   6     0.00   0.07  -0.02     0.00   0.02  -0.02     0.00   0.00  -0.01
     3   6     0.03   0.07  -0.04    -0.00   0.07   0.00    -0.01   0.03   0.01
     4   6     0.01   0.01   0.03     0.02  -0.09  -0.02     0.02  -0.09  -0.03
     5   6    -0.02   0.04  -0.01     0.00  -0.04  -0.02    -0.01   0.05   0.02
     6   6    -0.01  -0.03   0.00    -0.02   0.09   0.04     0.03  -0.16  -0.06
     7   8     0.01  -0.00   0.02     0.00  -0.02  -0.00    -0.01   0.03   0.01
     8   6    -0.05  -0.03   0.09    -0.02  -0.02   0.02    -0.01  -0.00   0.00
     9   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.03     0.00  -0.00  -0.01
    10   6    -0.00  -0.08   0.03    -0.01  -0.04   0.01    -0.01  -0.01   0.00
    11   6     0.00   0.02  -0.00     0.01  -0.08  -0.03    -0.02   0.11   0.04
    12   1    -0.18  -0.13  -0.01    -0.07  -0.08  -0.01    -0.01  -0.04  -0.01
    13   1     0.05   0.12   0.08     0.03   0.11   0.05     0.01   0.05   0.02
    14   1     0.12  -0.08  -0.08     0.02   0.00  -0.02    -0.01   0.00  -0.00
    15   1    -0.08  -0.17  -0.00     0.00  -0.05   0.00     0.03   0.00  -0.00
    16   1     0.08   0.00  -0.04     0.03  -0.02  -0.01     0.01  -0.01  -0.00
    17   1    -0.14  -0.05  -0.11    -0.05  -0.01  -0.01    -0.01  -0.00   0.01
    18   1    -0.10  -0.09  -0.21    -0.03  -0.03  -0.08     0.00  -0.00  -0.01
    19   1    -0.03   0.03   0.37    -0.02   0.02   0.13    -0.00   0.01   0.01
    20   1     0.12  -0.20  -0.05     0.06  -0.10   0.01     0.01  -0.03   0.01
    21   1    -0.03   0.29  -0.23     0.00   0.11  -0.07     0.00   0.02  -0.01
    22   1     0.19  -0.35   0.09     0.07  -0.07   0.02     0.01   0.00  -0.00
    23   1     0.06  -0.29  -0.08    -0.08   0.60   0.22    -0.08   0.59   0.22
    24   1    -0.01  -0.29  -0.13    -0.09   0.43   0.15    -0.04   0.20   0.07
    25   1    -0.03  -0.04   0.03     0.23   0.18  -0.16    -0.30  -0.25   0.23
    26   1     0.01  -0.04  -0.01    -0.04   0.16   0.07     0.04  -0.24  -0.08
    27   1     0.09   0.02  -0.06    -0.22  -0.03   0.21     0.34   0.05  -0.30
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1097.4212              1155.8150              1183.5416
 Red. masses --      1.8682                 1.9414                 1.9104
 Frc consts  --      1.3256                 1.5281                 1.5767
 IR Inten    --     15.7117                18.9303                40.4280
 RamAct Fr= 1--     66.3969                49.8314                33.6312
  Dep-P Fr= 1--      0.2497                 0.4027                 0.3691
  Dep-U Fr= 1--      0.3997                 0.5742                 0.5392
 Alpha2 Fr= 1--      0.7875                 0.3655                 0.2772
 Beta2  Fr= 1--      4.4227                 4.7689                 3.0222
 AlphaG Fr= 1--     -0.2591                 0.0820                -0.0484
 Gamma2 Fr= 1--     -1.6714                 0.4709                 5.1109
 Delta2 Fr= 1--      4.6716                 0.4378                 2.1970
 Raman1 Fr= 1--     265.588                199.326                134.525
 ROA1   Fr= 1--     -10.966                 59.212                560.945
 CID1   Fr= 1--      -0.041                  0.297                  4.170
 Raman2 Fr= 1--      53.072                 57.226                 36.266
 ROA2   Fr= 1--     -77.487                  7.798                105.085
 CID2   Fr= 1--      -1.460                  0.136                  2.898
 Raman3 Fr= 1--     106.145                114.452                 72.533
 ROA3   Fr= 1--     -10.966                 59.212                560.945
 CID3   Fr= 1--      -0.103                  0.517                  7.734
 RC180  Fr= 1--      -0.201                  0.148                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.02   0.03  -0.03    -0.09   0.02   0.01
     2   6     0.02  -0.03   0.05     0.04  -0.04   0.06     0.20  -0.03  -0.03
     3   6     0.18   0.12  -0.04     0.14  -0.10   0.09    -0.02  -0.01   0.00
     4   6    -0.03  -0.01  -0.05    -0.09   0.04  -0.09     0.01   0.01   0.00
     5   6    -0.04   0.00  -0.00    -0.01  -0.03   0.04    -0.00   0.00  -0.01
     6   6    -0.03  -0.00   0.00    -0.06  -0.01  -0.01     0.08   0.01   0.00
     7   8     0.01   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.02
     8   6     0.02   0.02  -0.03    -0.05   0.02  -0.01    -0.09   0.01   0.02
     9   6    -0.05  -0.01   0.03    -0.04  -0.01  -0.04    -0.01  -0.08   0.02
    10   6    -0.01  -0.08   0.07     0.00   0.02   0.00    -0.08   0.04  -0.02
    11   6     0.03  -0.00   0.01     0.05  -0.00   0.03    -0.04   0.00  -0.02
    12   1    -0.05   0.44   0.11    -0.08  -0.27  -0.07     0.10  -0.02  -0.03
    13   1    -0.08  -0.24  -0.08     0.00   0.25   0.09    -0.12   0.32   0.06
    14   1     0.14  -0.02  -0.08     0.10   0.56   0.28    -0.15   0.00  -0.00
    15   1    -0.44  -0.30   0.05     0.13   0.03  -0.02     0.04   0.11  -0.01
    16   1     0.26   0.09  -0.07    -0.19  -0.03   0.05     0.39   0.07  -0.04
    17   1     0.06  -0.02  -0.11    -0.04  -0.04  -0.12     0.18  -0.01  -0.15
    18   1     0.05   0.01   0.17    -0.03  -0.07  -0.04     0.10   0.06   0.36
    19   1     0.04  -0.06  -0.15     0.02  -0.02   0.11     0.10  -0.13  -0.20
    20   1    -0.04   0.08   0.00     0.05  -0.10   0.04     0.11  -0.20  -0.01
    21   1     0.01  -0.07   0.06     0.01   0.20  -0.06     0.01   0.33  -0.14
    22   1    -0.06   0.11  -0.03     0.06   0.08  -0.03     0.19  -0.01  -0.01
    23   1    -0.32  -0.00  -0.04    -0.21   0.03  -0.09    -0.08  -0.04  -0.01
    24   1    -0.14  -0.05  -0.02     0.23   0.09   0.08    -0.23  -0.04  -0.03
    25   1    -0.05   0.01  -0.01    -0.10   0.02  -0.00     0.05  -0.03   0.02
    26   1     0.09   0.05  -0.08     0.17   0.07  -0.15    -0.13  -0.07   0.12
    27   1    -0.05  -0.02  -0.01    -0.07  -0.04  -0.04     0.04   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.3048              1217.0610              1232.2660
 Red. masses --      1.6011                 1.8362                 1.8176
 Frc consts  --      1.3276                 1.6025                 1.6262
 IR Inten    --     22.8343                 6.2425                29.9138
 RamAct Fr= 1--      6.4497                17.5908                 3.0017
  Dep-P Fr= 1--      0.7314                 0.3847                 0.7281
  Dep-U Fr= 1--      0.8448                 0.5556                 0.8427
 Alpha2 Fr= 1--      0.0021                 0.1375                 0.0011
 Beta2  Fr= 1--      0.9082                 1.6289                 0.4216
 AlphaG Fr= 1--      0.0041                -0.0529                -0.0000
 Gamma2 Fr= 1--     -4.0800                -3.3475                 0.2350
 Delta2 Fr= 1--     -1.8907                -3.3375                 0.5582
 Raman1 Fr= 1--      25.799                 70.363                 12.007
 ROA1   Fr= 1--    -452.183               -428.159                 40.426
 CID1   Fr= 1--     -17.527                 -6.085                  3.367
 Raman2 Fr= 1--      10.898                 19.547                  5.059
 ROA2   Fr= 1--     -82.795                -53.640                  1.175
 CID2   Fr= 1--      -7.597                 -2.744                  0.232
 Raman3 Fr= 1--      21.796                 39.094                 10.118
 ROA3   Fr= 1--    -452.183               -428.159                 40.426
 CID3   Fr= 1--     -20.746                -10.952                  3.996
 RC180  Fr= 1--       0.690                  0.111                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.05   0.01   0.01     0.03   0.04  -0.02
     2   6     0.02   0.03  -0.08    -0.13  -0.02  -0.04    -0.07  -0.10   0.05
     3   6    -0.03   0.04   0.03     0.07  -0.01   0.07    -0.03  -0.02  -0.10
     4   6    -0.03  -0.01  -0.01    -0.06   0.01  -0.06     0.08  -0.00   0.08
     5   6     0.00  -0.01   0.04    -0.00   0.00  -0.01     0.02   0.00  -0.01
     6   6    -0.14  -0.02  -0.00     0.11   0.02  -0.00    -0.11  -0.02  -0.00
     7   8     0.01   0.02  -0.04    -0.01  -0.01   0.01     0.02   0.00  -0.00
     8   6     0.00  -0.01   0.03     0.06   0.02   0.02     0.03   0.03  -0.01
     9   6     0.02  -0.04   0.06     0.05  -0.05   0.07     0.06  -0.07  -0.02
    10   6    -0.05   0.00  -0.05    -0.03   0.03  -0.08    -0.03   0.04   0.03
    11   6     0.07  -0.00   0.04    -0.04  -0.00  -0.02     0.03   0.00   0.01
    12   1     0.15   0.05  -0.00     0.21  -0.13  -0.04     0.02   0.10   0.04
    13   1    -0.12   0.11  -0.02    -0.16   0.47   0.06     0.02   0.50   0.15
    14   1     0.34  -0.33  -0.05     0.30  -0.08   0.06    -0.49   0.23  -0.06
    15   1    -0.02   0.14   0.03    -0.31   0.15   0.07    -0.19  -0.04   0.01
    16   1     0.28  -0.05  -0.00     0.28  -0.10   0.02     0.29   0.17  -0.07
    17   1     0.07   0.02   0.05    -0.11  -0.01   0.03    -0.10  -0.04  -0.13
    18   1     0.04   0.05   0.11    -0.04  -0.06  -0.10    -0.04  -0.11  -0.01
    19   1     0.01  -0.02  -0.08    -0.03   0.04   0.18     0.01  -0.02   0.17
    20   1     0.02  -0.02  -0.05    -0.06   0.16  -0.08    -0.08   0.17  -0.06
    21   1    -0.02   0.00  -0.03    -0.05  -0.16  -0.01    -0.02  -0.04  -0.03
    22   1     0.04  -0.13   0.04    -0.10  -0.13   0.06    -0.10   0.04   0.00
    23   1     0.24   0.02  -0.02    -0.24  -0.01  -0.06     0.10  -0.01   0.08
    24   1     0.55   0.04   0.06    -0.17  -0.02  -0.02     0.00   0.02   0.01
    25   1    -0.09   0.06  -0.03     0.03  -0.05   0.03    -0.01   0.05  -0.03
    26   1     0.24   0.12  -0.22    -0.15  -0.08   0.14     0.13   0.06  -0.12
    27   1    -0.08  -0.05  -0.06     0.02   0.03   0.05     0.00  -0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1246.9559              1263.0307              1280.1866
 Red. masses --      1.6031                 1.4515                 1.8590
 Frc consts  --      1.4686                 1.3642                 1.7950
 IR Inten    --     13.5092                 4.4036                 6.8116
 RamAct Fr= 1--     28.0180                20.1190                 8.4002
  Dep-P Fr= 1--      0.3224                 0.3660                 0.4051
  Dep-U Fr= 1--      0.4876                 0.5358                 0.5766
 Alpha2 Fr= 1--      0.2685                 0.1676                 0.0611
 Beta2  Fr= 1--      2.2768                 1.7967                 0.8072
 AlphaG Fr= 1--      0.0021                 0.0978                 0.1361
 Gamma2 Fr= 1--     -2.4556                 1.3591                 4.5157
 Delta2 Fr= 1--     -3.7273                 2.1587                 2.8087
 Raman1 Fr= 1--     112.072                 80.476                 33.601
 ROA1   Fr= 1--    -355.011                199.553                523.386
 CID1   Fr= 1--      -3.168                  2.480                 15.577
 Raman2 Fr= 1--      27.321                 21.561                  9.686
 ROA2   Fr= 1--     -29.116                 15.348                 85.908
 CID2   Fr= 1--      -1.066                  0.712                  8.869
 Raman3 Fr= 1--      54.642                 43.122                 19.373
 ROA3   Fr= 1--    -355.011                199.553                523.386
 CID3   Fr= 1--      -6.497                  4.628                 27.016
 RC180  Fr= 1--      -0.025                  0.072                  0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.01  -0.00  -0.01     0.00  -0.06  -0.03
     2   6    -0.00   0.15   0.06    -0.04   0.00   0.04     0.01   0.16   0.13
     3   6     0.02  -0.04  -0.05     0.01  -0.02  -0.02     0.02   0.02   0.03
     4   6     0.02   0.01   0.02    -0.05   0.00  -0.01     0.02   0.01  -0.01
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     6   6    -0.03  -0.01  -0.00     0.06   0.01  -0.00    -0.03  -0.01   0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00   0.00
     8   6    -0.00  -0.05  -0.03     0.02  -0.00  -0.01    -0.01  -0.05  -0.05
     9   6     0.00   0.06   0.04     0.04  -0.02  -0.07    -0.01  -0.13  -0.05
    10   6    -0.08  -0.04  -0.02    -0.12  -0.02   0.08     0.02   0.02  -0.04
    11   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    12   1     0.09  -0.53  -0.12    -0.14   0.34   0.11    -0.12   0.25   0.07
    13   1    -0.05  -0.14  -0.07     0.16   0.01   0.05    -0.08   0.52   0.13
    14   1    -0.09   0.28   0.03     0.33   0.07   0.03    -0.08  -0.43  -0.10
    15   1    -0.09  -0.00   0.01     0.66   0.02  -0.11     0.11   0.05  -0.04
    16   1     0.58   0.01  -0.06     0.34   0.18  -0.08    -0.28  -0.13   0.08
    17   1     0.01   0.04   0.16    -0.04  -0.01  -0.00     0.02   0.03   0.10
    18   1     0.01   0.10  -0.16    -0.02  -0.01  -0.06     0.02   0.11  -0.13
    19   1    -0.08   0.09  -0.14    -0.01   0.02   0.02    -0.08   0.08  -0.15
    20   1     0.01  -0.10   0.17    -0.04   0.06   0.02    -0.02  -0.07   0.17
    21   1     0.07  -0.06   0.13     0.01  -0.05   0.04     0.10  -0.01   0.16
    22   1    -0.02   0.11  -0.04    -0.05   0.04  -0.01    -0.00   0.16  -0.06
    23   1    -0.04  -0.02   0.02     0.16   0.02  -0.01    -0.16  -0.05  -0.02
    24   1    -0.07   0.02  -0.00     0.11   0.02  -0.00    -0.15  -0.03  -0.00
    25   1    -0.00   0.01  -0.01    -0.00  -0.03   0.02     0.00   0.02  -0.01
    26   1     0.03   0.01  -0.03    -0.07  -0.03   0.06     0.03   0.02  -0.03
    27   1     0.01  -0.00  -0.02    -0.01   0.01   0.04     0.01  -0.01  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.3859              1316.9764              1338.6069
 Red. masses --      1.4622                 1.7636                 1.4606
 Frc consts  --      1.4456                 1.8023                 1.5420
 IR Inten    --     33.2296                15.7749                 0.0446
 RamAct Fr= 1--      8.7709                 5.1097                33.1977
  Dep-P Fr= 1--      0.4242                 0.2801                 0.3057
  Dep-U Fr= 1--      0.5957                 0.4376                 0.4682
 Alpha2 Fr= 1--      0.0594                 0.0556                 0.3347
 Beta2  Fr= 1--      0.8709                 0.3726                 2.5907
 AlphaG Fr= 1--      0.0162                -0.0221                 0.0199
 Gamma2 Fr= 1--     -2.8312                 1.0493                -0.7652
 Delta2 Fr= 1--     -3.1487                 0.9160                 0.5461
 Raman1 Fr= 1--      35.083                 20.439                132.791
 ROA1   Fr= 1--    -372.549                130.047                -55.985
 CID1   Fr= 1--     -10.619                  6.363                 -0.422
 Raman2 Fr= 1--      10.450                  4.472                 31.089
 ROA2   Fr= 1--     -42.759                 17.857                -22.733
 CID2   Fr= 1--      -4.092                  3.993                 -0.731
 Raman3 Fr= 1--      20.900                  8.943                 62.178
 ROA3   Fr= 1--    -372.549                130.047                -55.985
 CID3   Fr= 1--     -17.825                 14.541                 -0.900
 RC180  Fr= 1--       0.191                 -0.125                 -0.064
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.01   0.04  -0.03     0.00  -0.01   0.01
     2   6    -0.02  -0.06  -0.02     0.03  -0.11   0.18    -0.02   0.02  -0.04
     3   6     0.04   0.03   0.08     0.00   0.07  -0.03     0.04  -0.00   0.01
     4   6     0.06   0.01  -0.02    -0.04  -0.00  -0.01     0.02   0.05  -0.12
     5   6     0.05   0.01  -0.00    -0.04  -0.01   0.03    -0.01  -0.05   0.13
     6   6    -0.09  -0.01   0.00     0.05   0.01  -0.00    -0.04  -0.01  -0.00
     7   8     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01    -0.00   0.02  -0.05     0.00  -0.00   0.01
     9   6     0.01   0.06   0.00    -0.01   0.06  -0.01     0.00  -0.01   0.01
    10   6    -0.08  -0.01  -0.03    -0.00  -0.01  -0.03    -0.01  -0.00  -0.00
    11   6     0.02  -0.00   0.01    -0.00   0.00  -0.01     0.02   0.00   0.01
    12   1     0.00  -0.16  -0.03     0.01  -0.51  -0.13     0.00   0.07   0.02
    13   1     0.05  -0.18  -0.05     0.06   0.06   0.05    -0.03  -0.02  -0.02
    14   1    -0.25  -0.39  -0.06     0.12  -0.48  -0.17    -0.12   0.06   0.01
    15   1     0.49   0.18  -0.06    -0.06   0.06   0.02     0.03   0.02  -0.00
    16   1     0.09  -0.06   0.00     0.02  -0.04  -0.00     0.01  -0.00  -0.01
    17   1    -0.05  -0.02  -0.05    -0.03  -0.08  -0.24     0.02   0.01   0.03
    18   1    -0.02  -0.07   0.02    -0.08  -0.09  -0.08     0.00   0.04  -0.02
    19   1     0.02  -0.02   0.06     0.08  -0.06  -0.07    -0.01   0.01   0.02
    20   1     0.00   0.03  -0.04    -0.07   0.08   0.05     0.02  -0.02  -0.01
    21   1    -0.03  -0.01  -0.03     0.05   0.07   0.03    -0.02  -0.03  -0.02
    22   1    -0.01  -0.04   0.01    -0.05   0.18  -0.05    -0.00  -0.04   0.02
    23   1    -0.48  -0.10  -0.02     0.42   0.04  -0.03     0.66   0.16  -0.13
    24   1    -0.31  -0.07  -0.02     0.10  -0.02   0.02    -0.64  -0.15   0.11
    25   1     0.02   0.06  -0.04    -0.02  -0.04   0.02    -0.02   0.03  -0.02
    26   1     0.08   0.05  -0.09    -0.05  -0.02   0.05     0.03   0.01  -0.01
    27   1     0.03  -0.02  -0.06    -0.03   0.01   0.04    -0.01  -0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1381.8526              1398.8494              1406.0830
 Red. masses --      1.2815                 1.5329                 1.3440
 Frc consts  --      1.4418                 1.7673                 1.5656
 IR Inten    --     15.9120                65.5414                18.5826
 RamAct Fr= 1--      1.6414                 4.7289                 0.9941
  Dep-P Fr= 1--      0.7477                 0.1304                 0.1323
  Dep-U Fr= 1--      0.8557                 0.2307                 0.2336
 Alpha2 Fr= 1--      0.0001                 0.0768                 0.0161
 Beta2  Fr= 1--      0.2341                 0.1818                 0.0387
 AlphaG Fr= 1--      0.0005                 0.0414                -0.0060
 Gamma2 Fr= 1--     -0.6047                 0.5829                 0.1948
 Delta2 Fr= 1--     -0.4140                 0.2392                -0.0746
 Raman1 Fr= 1--       6.566                 18.916                  3.976
 ROA1   Fr= 1--     -71.295                 63.612                 16.315
 CID1   Fr= 1--     -10.859                  3.363                  4.103
 Raman2 Fr= 1--       2.809                  2.181                  0.464
 ROA2   Fr= 1--     -11.200                 12.075                  5.273
 CID2   Fr= 1--      -3.987                  5.536                 11.352
 Raman3 Fr= 1--       5.618                  4.363                  0.929
 ROA3   Fr= 1--     -71.295                 63.612                 16.315
 CID3   Fr= 1--     -12.691                 14.580                 17.563
 RC180  Fr= 1--       0.711                 -0.539                 -0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.00   0.01   0.03     0.01   0.00   0.08
     2   6     0.01  -0.01   0.02     0.01  -0.02   0.03    -0.01   0.03  -0.05
     3   6    -0.06  -0.01  -0.01    -0.13  -0.02  -0.01     0.05   0.00   0.01
     4   6     0.00   0.00  -0.01     0.05   0.01  -0.02    -0.01  -0.00   0.01
     5   6     0.03   0.01   0.00     0.09   0.01   0.00    -0.03  -0.00  -0.00
     6   6     0.02   0.01  -0.01    -0.09  -0.02  -0.00     0.02   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.03   0.01     0.02  -0.11   0.06
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6     0.01   0.00   0.01     0.02   0.01   0.02    -0.01   0.00  -0.01
    11   6    -0.10  -0.04   0.08     0.07   0.02  -0.03    -0.02  -0.00   0.01
    12   1     0.02  -0.01  -0.02     0.05   0.00  -0.03    -0.01   0.05   0.02
    13   1     0.04   0.01   0.03     0.08   0.01   0.06    -0.04  -0.03  -0.04
    14   1     0.32   0.04   0.03     0.63   0.10   0.06    -0.25   0.00  -0.00
    15   1    -0.07  -0.02   0.02    -0.11  -0.03   0.03     0.05  -0.01  -0.03
    16   1     0.00   0.03  -0.01     0.00   0.06  -0.02     0.01  -0.05   0.03
    17   1     0.01  -0.02  -0.05     0.02  -0.08  -0.16    -0.01  -0.16  -0.23
    18   1    -0.03  -0.01  -0.03    -0.09  -0.02  -0.14    -0.13   0.04  -0.27
    19   1     0.03  -0.02  -0.05     0.07  -0.02  -0.17     0.04   0.07  -0.29
    20   1    -0.02   0.03  -0.00    -0.11   0.13  -0.06    -0.25   0.30  -0.24
    21   1     0.02   0.03   0.00     0.05   0.15  -0.06     0.07   0.35  -0.30
    22   1     0.00   0.03  -0.01    -0.01   0.15  -0.01    -0.07   0.42  -0.00
    23   1    -0.04   0.00  -0.01    -0.22  -0.02  -0.02     0.03   0.01   0.01
    24   1    -0.16  -0.02  -0.01    -0.36  -0.06  -0.01     0.12   0.02   0.00
    25   1     0.37   0.38  -0.17    -0.20  -0.14   0.05     0.04   0.02  -0.01
    26   1     0.20   0.16  -0.36    -0.06  -0.06   0.15     0.01   0.01  -0.03
    27   1     0.45  -0.07  -0.32    -0.22   0.01   0.10     0.05  -0.00  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.5777              1464.8602              1474.3214
 Red. masses --      1.2288                 1.0592                 1.0480
 Frc consts  --      1.4652                 1.3391                 1.3421
 IR Inten    --      3.5633                15.0211                 9.1616
 RamAct Fr= 1--      1.5746                 8.4437                 7.0133
  Dep-P Fr= 1--      0.7469                 0.4430                 0.7485
  Dep-U Fr= 1--      0.8551                 0.6140                 0.8562
 Alpha2 Fr= 1--      0.0001                 0.0532                 0.0002
 Beta2  Fr= 1--      0.2244                 0.8641                 1.0008
 AlphaG Fr= 1--      0.0000                 0.0155                 0.0046
 Gamma2 Fr= 1--      0.2147                 0.4274                -0.0776
 Delta2 Fr= 1--      0.0340                 0.1681                 0.0385
 Raman1 Fr= 1--       6.298                 33.775                 28.053
 ROA1   Fr= 1--      21.701                 46.410                 -6.221
 CID1   Fr= 1--       3.445                  1.374                 -0.222
 Raman2 Fr= 1--       2.693                 10.369                 12.009
 ROA2   Fr= 1--       4.882                  8.912                 -2.171
 CID2   Fr= 1--       1.813                  0.860                 -0.181
 Raman3 Fr= 1--       5.386                 20.738                 24.018
 ROA3   Fr= 1--      21.701                 46.410                 -6.221
 CID3   Fr= 1--       4.029                  2.238                 -0.259
 RC180  Fr= 1--       0.710                  0.228                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.11    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.02     0.00  -0.02  -0.01
     7   8     0.00  -0.00   0.00     0.00   0.01  -0.02    -0.00   0.00   0.00
     8   6     0.02  -0.07   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.05   0.00  -0.03     0.01  -0.05  -0.02
    12   1     0.06  -0.04  -0.04     0.01   0.00  -0.00     0.00   0.00  -0.00
    13   1     0.05  -0.03   0.04     0.01  -0.00   0.01     0.00   0.00   0.00
    14   1     0.07  -0.04  -0.00     0.02   0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.03   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.03  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.01   0.23   0.38     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.23   0.02   0.40    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.14  -0.04   0.45     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.21   0.24  -0.12    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.09   0.28  -0.17     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.04   0.30  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.01  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01   0.00    -0.05  -0.01   0.01     0.00  -0.01  -0.00
    25   1    -0.00   0.00  -0.00     0.28  -0.45   0.33    -0.47   0.02  -0.11
    26   1     0.00  -0.00   0.00     0.21   0.17  -0.37    -0.12   0.68   0.24
    27   1    -0.00  -0.00  -0.00     0.17   0.21   0.57     0.45   0.09   0.15
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.3164              1486.5986              1492.6731
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3867                 1.3620                 1.3982
 IR Inten    --      1.0288                 0.3068                 8.2866
 RamAct Fr= 1--      8.2191                10.2116                11.9044
  Dep-P Fr= 1--      0.6982                 0.7319                 0.7088
  Dep-U Fr= 1--      0.8223                 0.8452                 0.8296
 Alpha2 Fr= 1--      0.0074                 0.0032                 0.0085
 Beta2  Fr= 1--      1.1264                 1.4385                 1.6460
 AlphaG Fr= 1--      0.0081                 0.0086                -0.0408
 Gamma2 Fr= 1--      2.0426                -2.4849                -1.7050
 Delta2 Fr= 1--      0.4867                -1.4345                 0.5292
 Raman1 Fr= 1--      32.877                 40.846                 47.617
 ROA1   Fr= 1--     211.664               -284.452               -146.750
 CID1   Fr= 1--       6.438                 -6.964                 -3.082
 Raman2 Fr= 1--      13.516                 17.262                 19.751
 ROA2   Fr= 1--      45.128                -48.160                -45.155
 CID2   Fr= 1--       3.339                 -2.790                 -2.286
 Raman3 Fr= 1--      27.033                 34.524                 39.503
 ROA3   Fr= 1--     211.664               -284.452               -146.750
 CID3   Fr= 1--       7.830                 -8.239                 -3.715
 RC180  Fr= 1--       0.645                  0.690                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.04  -0.00  -0.00     0.00  -0.02  -0.00
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.00   0.03
     3   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.02   0.02    -0.04  -0.00   0.01     0.01   0.01   0.03
     9   6    -0.05   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00  -0.00
    10   6    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.01  -0.04   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1     0.36   0.08  -0.21     0.08   0.01  -0.04    -0.17  -0.07   0.09
    13   1     0.30  -0.03   0.29     0.06  -0.01   0.06    -0.14   0.04  -0.12
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.01     0.04  -0.02  -0.00
    15   1     0.03  -0.30  -0.21    -0.01  -0.08  -0.05    -0.03   0.30   0.21
    16   1     0.08  -0.26   0.22     0.03  -0.06   0.06    -0.09   0.26  -0.23
    17   1     0.15  -0.06  -0.14    -0.41  -0.08   0.01    -0.01  -0.07  -0.12
    18   1     0.11   0.28  -0.05     0.05  -0.14   0.20     0.11   0.18   0.03
    19   1    -0.13   0.10   0.13    -0.13   0.24  -0.17    -0.15   0.16   0.04
    20   1     0.17  -0.15  -0.10     0.03   0.04  -0.43     0.26  -0.22  -0.29
    21   1    -0.18  -0.18  -0.20     0.06  -0.12   0.31    -0.27  -0.28  -0.26
    22   1    -0.13   0.15   0.01     0.54   0.13  -0.08    -0.08   0.31  -0.00
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00    -0.01  -0.01   0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.00
    25   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.6894              1506.1397              1509.9659
 Red. masses --      1.1098                 1.0614                 1.0623
 Frc consts  --      1.4765                 1.4186                 1.4270
 IR Inten    --      3.0385                 7.3991                 5.0762
 RamAct Fr= 1--      6.2524                 5.2308                 2.2888
  Dep-P Fr= 1--      0.5846                 0.7451                 0.5877
  Dep-U Fr= 1--      0.7378                 0.8540                 0.7403
 Alpha2 Fr= 1--      0.0193                 0.0004                 0.0069
 Beta2  Fr= 1--      0.7689                 0.7445                 0.2824
 AlphaG Fr= 1--      0.0065                 0.0035                -0.0041
 Gamma2 Fr= 1--     -0.1405                 0.5887                 0.0604
 Delta2 Fr= 1--     -0.0906                -0.9795                 0.3048
 Raman1 Fr= 1--      25.010                 20.923                  9.155
 ROA1   Fr= 1--     -16.389                 25.177                 15.550
 CID1   Fr= 1--      -0.655                  1.203                  1.698
 Raman2 Fr= 1--       9.226                  8.934                  3.389
 ROA2   Fr= 1--      -2.647                 21.966                 -0.989
 CID2   Fr= 1--      -0.287                  2.459                 -0.292
 Raman3 Fr= 1--      18.453                 17.868                  6.778
 ROA3   Fr= 1--     -16.389                 25.177                 15.550
 CID3   Fr= 1--      -0.888                  1.409                  2.294
 RC180  Fr= 1--       0.476                  0.708                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00    -0.00  -0.03   0.02    -0.04  -0.00  -0.00
     2   6    -0.02   0.04   0.00    -0.01  -0.03  -0.01    -0.03  -0.01   0.01
     3   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.02  -0.00   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.00    -0.00   0.02   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.37   0.11  -0.21     0.13   0.03  -0.07    -0.19  -0.06   0.11
    13   1     0.29  -0.03   0.30     0.11  -0.02   0.10    -0.15   0.03  -0.16
    14   1    -0.08   0.00  -0.00    -0.04   0.01  -0.00     0.01   0.00   0.00
    15   1    -0.01   0.30   0.20    -0.01   0.23   0.15     0.01  -0.12  -0.08
    16   1    -0.07   0.24  -0.23    -0.06   0.19  -0.17     0.04  -0.10   0.09
    17   1     0.15   0.12   0.15     0.15  -0.15  -0.30     0.50   0.10  -0.02
    18   1    -0.18  -0.21  -0.15     0.18   0.46  -0.06    -0.05   0.20  -0.25
    19   1     0.26  -0.30  -0.04    -0.25   0.24   0.16     0.13  -0.28   0.26
    20   1     0.05  -0.03  -0.15    -0.17   0.16   0.12     0.01   0.04  -0.33
    21   1    -0.03  -0.09   0.05     0.19   0.16   0.26     0.03  -0.10   0.21
    22   1     0.13   0.08  -0.02     0.17  -0.22  -0.01     0.37   0.12  -0.06
    23   1     0.00   0.00   0.01    -0.01  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1673.1414              1762.0774              3017.6675
 Red. masses --      6.5805                 8.5244                 1.0347
 Frc consts  --     10.8537                15.5942                 5.5513
 IR Inten    --    238.3854               113.5633                24.8922
 RamAct Fr= 1--    751.6006                22.0446                96.4308
  Dep-P Fr= 1--      0.2695                 0.7459                 0.0304
  Dep-U Fr= 1--      0.4245                 0.8545                 0.0590
 Alpha2 Fr= 1--      8.4297                 0.0015                 1.9953
 Beta2  Fr= 1--     53.1808                 3.1394                 0.9488
 AlphaG Fr= 1--     -1.5557                 0.0206                -0.1611
 Gamma2 Fr= 1--    -16.3352                 1.3357                -0.6998
 Delta2 Fr= 1--      3.0923                -0.3200                -1.5919
 Raman1 Fr= 1--    3006.402                 88.178                385.723
 ROA1   Fr= 1--   -1469.228                117.990               -118.122
 CID1   Fr= 1--      -0.489                  1.338                 -0.306
 Raman2 Fr= 1--     638.170                 37.672                 11.386
 ROA2   Fr= 1--    -416.784                 34.617                 -4.059
 CID2   Fr= 1--      -0.653                  0.919                 -0.357
 Raman3 Fr= 1--    1276.339                 75.345                 22.772
 ROA3   Fr= 1--   -1469.228                117.990               -118.122
 CID3   Fr= 1--      -1.151                  1.566                 -5.187
 RC180  Fr= 1--      -0.151                  0.709                 -0.882
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.02   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.01     0.04   0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.43   0.12  -0.12    -0.21  -0.06   0.07    -0.00   0.00   0.00
     5   6    -0.40  -0.11   0.10     0.21   0.07  -0.11    -0.00  -0.00   0.00
     6   6     0.09  -0.07   0.24     0.02  -0.20   0.57     0.00  -0.00   0.00
     7   8    -0.03   0.05  -0.16    -0.03   0.12  -0.36    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.01
     9   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.01  -0.04    -0.00  -0.00  -0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.01   0.01   0.00     0.00  -0.00   0.01    -0.02  -0.01   0.02
    14   1     0.23   0.04   0.01    -0.10  -0.01  -0.02     0.00   0.01  -0.05
    15   1     0.01   0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.04   0.04  -0.03    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.02  -0.09   0.04
    18   1    -0.01   0.00  -0.03     0.00  -0.00   0.00    -0.11   0.05   0.05
    19   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.09   0.08   0.02
    20   1     0.01   0.00  -0.01    -0.00   0.00   0.00    -0.45  -0.36  -0.09
    21   1    -0.01  -0.03   0.01     0.00   0.00   0.00     0.49  -0.23  -0.23
    22   1    -0.00   0.02  -0.00     0.00  -0.00  -0.00     0.06   0.07   0.50
    23   1    -0.49  -0.03  -0.13     0.24   0.00   0.10    -0.00  -0.00  -0.00
    24   1     0.34  -0.00   0.17    -0.39  -0.01  -0.15     0.00   0.00  -0.00
    25   1     0.03   0.08  -0.05     0.04   0.13  -0.10    -0.00   0.00   0.00
    26   1    -0.06  -0.04   0.09    -0.13  -0.09   0.18     0.00  -0.00   0.00
    27   1     0.04  -0.02  -0.09     0.07  -0.02  -0.16    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.5202              3029.5725              3045.8029
 Red. masses --      1.0355                 1.0378                 1.0808
 Frc consts  --      5.5959                 5.6123                 5.9072
 IR Inten    --     24.5093                 3.0158                12.6816
 RamAct Fr= 1--    178.7854               198.0413                36.6044
  Dep-P Fr= 1--      0.0297                 0.0130                 0.3694
  Dep-U Fr= 1--      0.0576                 0.0256                 0.5395
 Alpha2 Fr= 1--      3.7059                 4.2694                 0.3014
 Beta2  Fr= 1--      1.7174                 0.8458                 3.2915
 AlphaG Fr= 1--     -0.4353                 0.3942                -0.0593
 Gamma2 Fr= 1--      2.2676                 0.1815                -4.4869
 Delta2 Fr= 1--      0.8452                -1.3113                -6.4483
 Raman1 Fr= 1--     715.142                792.165                146.418
 ROA1   Fr= 1--     244.738                -24.542               -637.088
 CID1   Fr= 1--       0.342                 -0.031                 -4.351
 Raman2 Fr= 1--      20.609                 10.149                 39.498
 ROA2   Fr= 1--      47.661                 14.845                -56.099
 CID2   Fr= 1--       2.313                  1.463                 -1.420
 Raman3 Fr= 1--      41.218                 20.298                 78.997
 ROA3   Fr= 1--     244.738                -24.542               -637.088
 CID3   Fr= 1--       5.938                 -1.209                 -8.065
 RC180  Fr= 1--      -0.885                 -0.949                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.05    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.02  -0.07
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.02   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00   0.00  -0.00    -0.02  -0.02   0.04    -0.00   0.00  -0.00
    12   1    -0.03   0.01  -0.05    -0.00   0.00  -0.00    -0.11   0.04  -0.22
    13   1    -0.04  -0.01   0.05    -0.00  -0.00   0.00    -0.15  -0.06   0.17
    14   1     0.00   0.02  -0.07     0.00   0.00  -0.00    -0.05  -0.25   0.88
    15   1     0.01  -0.02   0.04     0.00  -0.00   0.00    -0.04   0.08  -0.13
    16   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.09   0.44  -0.22    -0.00   0.01  -0.00    -0.01   0.02  -0.01
    18   1     0.51  -0.24  -0.23     0.01  -0.00  -0.00     0.02  -0.01  -0.01
    19   1    -0.43  -0.35  -0.11    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    20   1    -0.09  -0.07  -0.02    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    21   1     0.09  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.03  -0.02
    22   1     0.01   0.01   0.11     0.00   0.00   0.00    -0.00  -0.00  -0.02
    23   1     0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00   0.01  -0.02
    25   1    -0.00   0.00   0.01     0.07  -0.37  -0.53    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.30  -0.02   0.21     0.00  -0.00   0.00
    27   1     0.00  -0.01   0.00    -0.11   0.62  -0.19     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.9667              3062.7875              3076.3744
 Red. masses --      1.0613                 1.0600                 1.1012
 Frc consts  --      5.8242                 5.8585                 6.1406
 IR Inten    --     47.2877                27.8421                15.1872
 RamAct Fr= 1--    222.4134               153.8249                51.8507
  Dep-P Fr= 1--      0.0810                 0.0630                 0.6780
  Dep-U Fr= 1--      0.1499                 0.1185                 0.8081
 Alpha2 Fr= 1--      4.0782                 2.9456                 0.0659
 Beta2  Fr= 1--      5.5562                 3.0390                 6.9833
 AlphaG Fr= 1--     -0.0886                 0.0521                -0.0169
 Gamma2 Fr= 1--      2.7971                 4.6619                 3.8579
 Delta2 Fr= 1--      1.0502                -7.4857                 2.2206
 Raman1 Fr= 1--     889.654                615.300                207.403
 ROA1   Fr= 1--     302.127                207.999                441.415
 CID1   Fr= 1--       0.340                  0.338                  2.128
 Raman2 Fr= 1--      66.674                 36.468                 83.800
 ROA2   Fr= 1--      58.728                171.771                 74.824
 CID2   Fr= 1--       0.881                  4.710                  0.893
 Raman3 Fr= 1--     133.348                 72.937                167.600
 ROA3   Fr= 1--     302.127                207.999                441.415
 CID3   Fr= 1--       2.266                  2.852                  2.634
 RC180  Fr= 1--      -0.700                 -0.763                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.00  -0.01  -0.00     0.02  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.09  -0.01   0.02
     9   6    -0.06  -0.00  -0.02     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00   0.01   0.01    -0.01   0.06  -0.02     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1     0.33  -0.12   0.61    -0.08   0.03  -0.15    -0.00   0.00  -0.01
    13   1     0.38   0.15  -0.43     0.00   0.00   0.00     0.02   0.01  -0.02
    14   1    -0.02  -0.09   0.31    -0.00  -0.02   0.07     0.00   0.01  -0.03
    15   1     0.00  -0.01   0.02     0.17  -0.38   0.66    -0.00   0.01  -0.01
    16   1    -0.00  -0.10  -0.12    -0.01  -0.35  -0.47     0.00   0.02   0.02
    17   1    -0.01   0.04  -0.02    -0.01   0.03  -0.02    -0.00   0.03  -0.02
    18   1     0.04  -0.02  -0.02    -0.06   0.02   0.03    -0.13   0.06   0.06
    19   1    -0.05  -0.04  -0.01     0.03   0.02   0.01    -0.11  -0.09  -0.03
    20   1    -0.05  -0.05  -0.01     0.01   0.01   0.00     0.50   0.43   0.11
    21   1     0.06  -0.03  -0.03     0.01  -0.00  -0.00     0.58  -0.29  -0.27
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.03  -0.01  -0.05
    23   1    -0.00   0.01  -0.02     0.00   0.01  -0.02     0.00  -0.00   0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3391              3085.2505              3087.8658
 Red. masses --      1.0984                 1.1017                 1.1013
 Frc consts  --      6.1447                 6.1789                 6.1872
 IR Inten    --      8.8081                23.9431                39.8047
 RamAct Fr= 1--     61.2204                50.2668                93.4490
  Dep-P Fr= 1--      0.7489                 0.6901                 0.7431
  Dep-U Fr= 1--      0.8564                 0.8167                 0.8526
 Alpha2 Fr= 1--      0.0012                 0.0528                 0.0110
 Beta2  Fr= 1--      8.7381                 6.8418                13.2789
 AlphaG Fr= 1--     -0.0273                -0.2518                 0.0134
 Gamma2 Fr= 1--      3.3175                15.9251                15.4333
 Delta2 Fr= 1--      3.5827                14.5041                 6.7610
 Raman1 Fr= 1--     244.882                201.067                373.796
 ROA1   Fr= 1--     433.127               1992.936               1697.946
 CID1   Fr= 1--       1.769                  9.912                  4.542
 Raman2 Fr= 1--     104.857                 82.102                159.347
 ROA2   Fr= 1--      50.958                266.169                316.310
 CID2   Fr= 1--       0.486                  3.242                  1.985
 Raman3 Fr= 1--     209.715                164.203                318.694
 ROA3   Fr= 1--     433.127               1992.936               1697.946
 CID3   Fr= 1--       2.065                 12.137                  5.328
 RC180  Fr= 1--       0.713                  0.633                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.09   0.01   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.04  -0.08    -0.02  -0.00   0.01
     9   6     0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.00  -0.01
    10   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    11   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.00   0.00    -0.05   0.02  -0.08     0.04  -0.01   0.06
    13   1    -0.00  -0.00   0.00     0.11   0.04  -0.12    -0.06  -0.02   0.06
    14   1     0.00   0.00  -0.00    -0.01  -0.02   0.07     0.00   0.00  -0.01
    15   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.05  -0.07
    17   1     0.00  -0.00   0.00     0.02  -0.08   0.04     0.03  -0.24   0.12
    18   1    -0.00   0.00   0.00     0.04  -0.02  -0.02     0.61  -0.29  -0.29
    19   1    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01     0.41   0.36   0.12
    20   1     0.00   0.00   0.00     0.30   0.25   0.04     0.11   0.09   0.02
    21   1     0.00  -0.00  -0.00    -0.26   0.12   0.10     0.14  -0.07  -0.06
    22   1    -0.00  -0.00  -0.01     0.11   0.09   0.82    -0.01  -0.00  -0.03
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00   0.01  -0.03
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.07   0.38   0.59    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1    -0.11   0.66  -0.22    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3094.3239              3095.4856              3114.5789
 Red. masses --      1.1064                 1.1019                 1.1077
 Frc consts  --      6.2413                 6.2208                 6.3310
 IR Inten    --     13.6079                39.4218                46.6982
 RamAct Fr= 1--    124.9552                32.8306                93.7503
  Dep-P Fr= 1--      0.6035                 0.4193                 0.6041
  Dep-U Fr= 1--      0.7528                 0.5908                 0.7532
 Alpha2 Fr= 1--      0.3382                 0.2267                 0.2527
 Beta2  Fr= 1--     15.6768                 3.2328                11.7681
 AlphaG Fr= 1--      0.0787                 0.5037                 0.1436
 Gamma2 Fr= 1--    -43.8154                25.6335                -5.5310
 Delta2 Fr= 1--    -26.4102                22.3221                -7.5194
 Raman1 Fr= 1--     499.821                131.322                375.001
 ROA1   Fr= 1--   -5051.407               3175.118               -771.600
 CID1   Fr= 1--     -10.106                 24.178                 -2.058
 Raman2 Fr= 1--     188.121                 38.793                141.218
 ROA2   Fr= 1--    -840.288                436.626                -72.590
 CID2   Fr= 1--      -4.467                 11.255                 -0.514
 Raman3 Fr= 1--     376.243                 77.587                282.435
 ROA3   Fr= 1--   -5051.407               3175.118               -771.600
 CID3   Fr= 1--     -13.426                 40.923                 -2.732
 RC180  Fr= 1--       0.506                  0.182                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.01    -0.02  -0.08   0.01     0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.02  -0.07    -0.01  -0.01   0.03     0.00   0.01  -0.04
    10   6     0.00   0.01   0.03    -0.00  -0.01  -0.02    -0.01  -0.01  -0.08
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.24  -0.08   0.42    -0.09   0.03  -0.16     0.16  -0.05   0.28
    13   1    -0.41  -0.16   0.44     0.18   0.07  -0.20    -0.19  -0.07   0.20
    14   1     0.00   0.01  -0.04    -0.00  -0.01   0.04    -0.01  -0.03   0.11
    15   1    -0.03   0.08  -0.12     0.02  -0.05   0.07     0.13  -0.30   0.47
    16   1    -0.00  -0.20  -0.25     0.00   0.17   0.22     0.00   0.42   0.52
    17   1    -0.07   0.32  -0.17    -0.13   0.62  -0.32     0.02  -0.09   0.05
    18   1    -0.13   0.05   0.07    -0.06   0.01   0.03     0.02  -0.00  -0.01
    19   1     0.14   0.10   0.04     0.41   0.32   0.11    -0.04  -0.03  -0.01
    20   1     0.07   0.06   0.01     0.02   0.02   0.00     0.01   0.01   0.00
    21   1    -0.05   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.00   0.00
    22   1     0.02   0.02   0.18     0.00   0.00   0.01     0.01   0.00   0.06
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3143.8407              3145.4835              3150.5968
 Red. masses --      1.0910                 1.1000                 1.0863
 Frc consts  --      6.3533                 6.4126                 6.3529
 IR Inten    --      0.4467                13.4028                15.0975
 RamAct Fr= 1--     87.5822                89.9650                 8.5844
  Dep-P Fr= 1--      0.1671                 0.6755                 0.6492
  Dep-U Fr= 1--      0.2863                 0.8064                 0.7873
 Alpha2 Fr= 1--      1.2962                 0.1185                 0.0156
 Beta2  Fr= 1--      4.1788                12.0906                 1.1264
 AlphaG Fr= 1--      0.1120                -0.0934                 0.0472
 Gamma2 Fr= 1--     -5.7301                -0.3142                 2.2058
 Delta2 Fr= 1--     -4.7813                -1.3173                 1.2663
 Raman1 Fr= 1--     350.329                359.860                 34.337
 ROA1   Fr= 1--    -703.090                -72.314                252.282
 CID1   Fr= 1--      -2.007                 -0.201                  7.347
 Raman2 Fr= 1--      50.146                145.087                 13.516
 ROA2   Fr= 1--     -99.271                  2.999                 42.810
 CID2   Fr= 1--      -1.980                  0.021                  3.167
 Raman3 Fr= 1--     100.291                290.173                 27.032
 ROA3   Fr= 1--    -703.090                -72.314                252.282
 CID3   Fr= 1--      -7.010                 -0.249                  9.333
 RC180  Fr= 1--      -0.427                  0.613                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.02  -0.06     0.00  -0.01   0.02    -0.01   0.02  -0.05
     5   6    -0.00  -0.02   0.05     0.00   0.00  -0.00    -0.00   0.02  -0.06
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.02   0.00  -0.01    -0.06   0.01  -0.06    -0.01   0.00  -0.01
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    14   1    -0.00  -0.01   0.03     0.00   0.01  -0.02     0.00  -0.02   0.06
    15   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.00  -0.01   0.02
    16   1     0.00   0.01   0.01    -0.00  -0.00  -0.01     0.00   0.01   0.01
    17   1     0.01  -0.03   0.01    -0.00   0.01  -0.01     0.01  -0.03   0.01
    18   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    23   1     0.04  -0.23   0.66    -0.02   0.09  -0.26     0.04  -0.21   0.61
    24   1    -0.01   0.22  -0.62     0.00  -0.02   0.05     0.01  -0.25   0.70
    25   1    -0.01   0.03   0.04    -0.04   0.14   0.19    -0.01   0.03   0.04
    26   1     0.19  -0.01   0.12     0.74  -0.04   0.49     0.11  -0.01   0.07
    27   1     0.01  -0.05   0.01     0.03  -0.23   0.06     0.01  -0.04   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   821.588273645.118703714.03991
           X            0.99986   0.00243  -0.01626
           Y           -0.00317   0.99895  -0.04580
           Z            0.01613   0.04585   0.99882
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10542     0.02376     0.02332
 Rotational constants (GHZ):           2.19665     0.49511     0.48592
 Zero-point vibrational energy     621694.5 (Joules/Mol)
                                  148.58856 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     46.20    91.33   113.17   166.20   192.95
          (Kelvin)            225.55   318.18   353.10   378.33   412.30
                              459.17   495.94   525.96   593.22   635.60
                              739.71   842.68   856.05   907.38  1049.83
                             1152.05  1228.23  1267.39  1301.71  1317.58
                             1367.47  1379.71  1392.47  1396.44  1445.41
                             1471.57  1482.52  1514.15  1578.94  1662.96
                             1702.85  1706.83  1751.08  1772.96  1794.09
                             1817.22  1841.90  1863.77  1894.84  1925.96
                             1988.18  2012.63  2023.04  2046.77  2107.61
                             2121.22  2134.16  2138.88  2147.62  2162.03
                             2167.00  2172.50  2407.28  2535.24  4341.75
                             4357.37  4358.88  4382.23  4391.10  4406.67
                             4426.22  4433.36  4438.99  4442.75  4452.04
                             4453.71  4481.18  4523.29  4525.65  4533.01
 
 Zero-point correction=                           0.236791 (Hartree/Particle)
 Thermal correction to Energy=                    0.249346
 Thermal correction to Enthalpy=                  0.250290
 Thermal correction to Gibbs Free Energy=         0.197559
 Sum of electronic and zero-point Energies=           -465.874862
 Sum of electronic and thermal Energies=              -465.862307
 Sum of electronic and thermal Enthalpies=            -465.861363
 Sum of electronic and thermal Free Energies=         -465.914094
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.467             46.457            110.982
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.787
 Vibrational            154.689             40.495             39.227
 Vibration     1          0.594              1.983              5.694
 Vibration     2          0.597              1.972              4.346
 Vibration     3          0.600              1.964              3.924
 Vibration     4          0.608              1.937              3.174
 Vibration     5          0.613              1.919              2.886
 Vibration     6          0.620              1.895              2.588
 Vibration     7          0.648              1.809              1.950
 Vibration     8          0.660              1.770              1.763
 Vibration     9          0.670              1.741              1.642
 Vibration    10          0.684              1.699              1.494
 Vibration    11          0.705              1.637              1.315
 Vibration    12          0.723              1.586              1.190
 Vibration    13          0.739              1.543              1.098
 Vibration    14          0.776              1.444              0.918
 Vibration    15          0.802              1.379              0.821
 Vibration    16          0.869              1.219              0.624
 Vibration    17          0.943              1.062              0.475
 Vibration    18          0.953              1.042              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.134727D-90        -90.870544       -209.237160
 Total V=0       0.111078D+19         18.045629         41.551596
 Vib (Bot)       0.153028-104       -104.815230       -241.345986
 Vib (Bot)    1  0.644648D+01          0.809323          1.863535
 Vib (Bot)    2  0.325172D+01          0.512113          1.179185
 Vib (Bot)    3  0.261872D+01          0.418089          0.962685
 Vib (Bot)    4  0.177089D+01          0.248191          0.571482
 Vib (Bot)    5  0.151855D+01          0.181428          0.417753
 Vib (Bot)    6  0.129086D+01          0.110880          0.255311
 Vib (Bot)    7  0.894019D+00         -0.048653         -0.112028
 Vib (Bot)    8  0.796983D+00         -0.098551         -0.226921
 Vib (Bot)    9  0.737573D+00         -0.132195         -0.304390
 Vib (Bot)   10  0.668573D+00         -0.174851         -0.402610
 Vib (Bot)   11  0.589331D+00         -0.229641         -0.528768
 Vib (Bot)   12  0.537080D+00         -0.269961         -0.621607
 Vib (Bot)   13  0.499530D+00         -0.301439         -0.694088
 Vib (Bot)   14  0.428356D+00         -0.368195         -0.847801
 Vib (Bot)   15  0.390773D+00         -0.408075         -0.939628
 Vib (Bot)   16  0.315645D+00         -0.500801         -1.153136
 Vib (Bot)   17  0.258691D+00         -0.587219         -1.352122
 Vib (Bot)   18  0.252257D+00         -0.598157         -1.377308
 Vib (V=0)       0.126166D+05          4.100943          9.442771
 Vib (V=0)    1  0.696585D+01          0.842974          1.941019
 Vib (V=0)    2  0.378994D+01          0.578632          1.332350
 Vib (V=0)    3  0.316602D+01          0.500514          1.152476
 Vib (V=0)    4  0.234012D+01          0.369239          0.850203
 Vib (V=0)    5  0.209874D+01          0.321959          0.741339
 Vib (V=0)    6  0.188431D+01          0.275153          0.633564
 Vib (V=0)    7  0.152434D+01          0.183082          0.421561
 Vib (V=0)    8  0.144084D+01          0.158616          0.365227
 Vib (V=0)    9  0.139107D+01          0.143350          0.330077
 Vib (V=0)   10  0.133486D+01          0.125435          0.288826
 Vib (V=0)   11  0.127286D+01          0.104780          0.241265
 Vib (V=0)   12  0.123380D+01          0.091243          0.210095
 Vib (V=0)   13  0.120677D+01          0.081626          0.187951
 Vib (V=0)   14  0.115840D+01          0.063858          0.147039
 Vib (V=0)   15  0.113459D+01          0.054839          0.126271
 Vib (V=0)   16  0.109130D+01          0.037943          0.087367
 Vib (V=0)   17  0.106296D+01          0.026516          0.061055
 Vib (V=0)   18  0.106003D+01          0.025318          0.058297
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119386D+07          6.076952         13.992699
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003486    0.000001958   -0.000016473
      2        6           0.000010401   -0.000007725    0.000028096
      3        6           0.000014260   -0.000035651    0.000017460
      4        6          -0.000017283    0.000008939    0.000004838
      5        6           0.000012087    0.000001995   -0.000005767
      6        6          -0.000006241    0.000000059   -0.000008061
      7        8           0.000000154    0.000000351    0.000005262
      8        6          -0.000000530    0.000016057   -0.000015160
      9        6           0.000005681   -0.000000596   -0.000016399
     10        6          -0.000001360    0.000035210   -0.000013940
     11        6          -0.000003918    0.000002344   -0.000001519
     12        1          -0.000004948   -0.000003735    0.000004686
     13        1           0.000005182   -0.000002791    0.000002496
     14        1          -0.000009704    0.000003417   -0.000004845
     15        1          -0.000007296   -0.000005340    0.000005557
     16        1           0.000005564   -0.000002597    0.000003092
     17        1           0.000000698    0.000000579    0.000001088
     18        1           0.000000703   -0.000000834   -0.000000093
     19        1          -0.000001718    0.000000763    0.000002089
     20        1          -0.000001668   -0.000006512   -0.000001153
     21        1           0.000002785   -0.000003516   -0.000000233
     22        1          -0.000001286   -0.000003034    0.000001345
     23        1           0.000001222    0.000003928   -0.000000631
     24        1           0.000000197   -0.000003374    0.000002626
     25        1           0.000000049    0.000000284    0.000003150
     26        1          -0.000000404    0.000001126   -0.000000041
     27        1           0.000000859   -0.000001304    0.000002529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035651 RMS     0.000008976
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169207D+03  0.548067D+01 -0.279089D+01
      2   0.548067D+01  0.108578D+03 -0.282406D+01
      3  -0.279089D+01 -0.282406D+01  0.113105D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.471711D+01 -0.667885D+01 -0.673496D+01
      2   0.310205D+02 -0.109308D+02 -0.708663D+01
      3  -0.234325D+02  0.393769D+02  0.146638D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.772432D+02  0.257531D+02 -0.507693D+00
      2  -0.645442D+02  0.369880D+00  0.312676D+01
      3  -0.126991D+02 -0.261230D+02 -0.261907D+01
      4   0.341956D+02 -0.945670D+02 -0.329780D+02
      5  -0.219551D+02 -0.324050D+02 -0.133291D+02
      6  -0.148332D+02 -0.254395D+02  0.947909D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.345137D+01 -0.439991D+01 -0.427724D+01 -0.476911D+01 -0.162757D+01
      2  -0.439991D+01 -0.174663D+01  0.879245D+00 -0.162757D+01  0.155542D+01
      3  -0.427724D+01  0.879245D+00  0.153188D+01  0.111060D+01 -0.375431D+01
                 6             7             8             9            10 
      1   0.111060D+01 -0.344220D+01  0.113272D+01  0.137672D+01 -0.212460D+02
      2  -0.375431D+01  0.113272D+01 -0.325186D+01  0.595956D+00  0.692376D+01
      3   0.805711D+00  0.137672D+01  0.595956D+00  0.301219D+01  0.377329D+01
                11            12            13            14            15 
      1   0.692376D+01  0.377329D+01  0.103237D+02 -0.520080D+00 -0.134793D+01
      2   0.159780D+01 -0.650203D+00 -0.520080D+00  0.116182D+01  0.298137D+01
      3  -0.650203D+00 -0.162255D+01 -0.134793D+01  0.298137D+01  0.165485D-01
                16            17            18            19            20 
      1   0.134237D+02 -0.182295D+01 -0.237632D+01  0.465557D+02  0.810461D-01
      2  -0.182295D+01  0.378708D+01  0.485939D+00  0.810461D-01  0.394954D+01
      3  -0.237632D+01  0.485939D+00 -0.435963D+01 -0.876860D+00  0.111995D+01
                21            22            23            24            25 
      1  -0.876860D+00 -0.380463D+01  0.933725D+01  0.294902D+01 -0.337066D+01
      2   0.111995D+01  0.933725D+01  0.140884D+01 -0.617599D+00  0.252271D+01
      3   0.567230D+00  0.294902D+01 -0.617599D+00 -0.273245D+01  0.119718D+01
                26            27            28            29            30 
      1   0.252271D+01  0.119718D+01 -0.642786D+02 -0.357508D+01  0.358443D+00
      2  -0.100576D+01 -0.243180D+01 -0.357508D+01 -0.364132D+01 -0.741906D+00
      3  -0.243180D+01  0.476289D+01  0.358443D+00 -0.741906D+00 -0.159788D+01
                31            32            33            34            35 
      1  -0.111427D+02 -0.616533D+01 -0.163895D+01  0.908507D+01 -0.343250D+00
      2  -0.616533D+01 -0.328276D+01 -0.393612D+00 -0.343250D+00  0.770367D+00
      3  -0.163895D+01 -0.393612D+00  0.142367D+01 -0.218547D+01  0.176771D+01
                36            37            38            39            40 
      1  -0.218547D+01  0.596545D+02  0.333835D+01  0.287373D+01  0.128006D+02
      2   0.176771D+01  0.333835D+01  0.216904D+01  0.913260D+00  0.501030D+01
      3  -0.322679D+01  0.287373D+01  0.913260D+00  0.118444D+01  0.133045D+01
                41            42            43            44            45 
      1   0.501030D+01  0.133045D+01 -0.116882D+02 -0.301802D+00  0.379479D+01
      2   0.264004D+01 -0.492637D+00 -0.301802D+00 -0.162836D+01 -0.195819D+01
      3  -0.492637D+00 -0.190783D+01  0.379479D+01 -0.195819D+01  0.257741D+01
                46            47            48            49            50 
      1  -0.209763D+02 -0.890158D+00 -0.372125D+01  0.543066D+01  0.254386D+00
      2  -0.890158D+00  0.910965D+00 -0.243402D-01  0.254386D+00  0.727876D+00
      3  -0.372125D+01 -0.243402D-01  0.730748D+00  0.268427D+01 -0.958167D+00
                51            52            53            54            55 
      1   0.268427D+01 -0.252252D+02  0.780156D+00 -0.812764D+01  0.562125D+01
      2  -0.958167D+00  0.780156D+00  0.176238D+00  0.103513D+01 -0.803020D+00
      3   0.167886D+01 -0.812764D+01  0.103513D+01 -0.573221D+01  0.296214D+01
                56            57            58            59            60 
      1  -0.803020D+00  0.296214D+01 -0.836634D+01  0.191963D+01 -0.271117D+01
      2   0.387732D+00 -0.390142D+00  0.191963D+01 -0.205249D+01  0.293759D+01
      3  -0.390142D+00  0.106176D+01 -0.271117D+01  0.293759D+01 -0.172813D+01
                61            62            63            64            65 
      1   0.245463D+02 -0.458500D+00  0.932744D+01  0.664266D+01 -0.550289D+01
      2  -0.458500D+00  0.152677D+01 -0.143729D+01 -0.550289D+01 -0.136904D+01
      3   0.932744D+01 -0.143729D+01  0.108254D+02 -0.198415D+01  0.983041D+00
                66            67            68            69            70 
      1  -0.198415D+01 -0.559595D+01 -0.118531D+01  0.121903D+01 -0.490974D+01
      2   0.983041D+00 -0.118531D+01 -0.632166D+00 -0.252097D+01  0.148513D+01
      3   0.127132D+01  0.121903D+01 -0.252097D+01  0.101169D+01  0.167013D+01
                71            72            73            74            75 
      1   0.148513D+01  0.167013D+01  0.790421D+00  0.916490D+00 -0.110591D+01
      2  -0.288050D+01  0.144398D+00  0.916490D+00 -0.361364D+01 -0.181838D+01
      3   0.144398D+00  0.632970D+01 -0.110591D+01 -0.181838D+01  0.312851D+01
                76            77            78            79            80 
      1   0.155083D+01 -0.457877D+01 -0.272516D+01 -0.182648D+01 -0.260495D+01
      2  -0.457877D+01 -0.287566D+01 -0.112901D+01 -0.260495D+01 -0.149933D+01
      3  -0.272516D+01 -0.112901D+01 -0.634234D+00  0.446268D+01 -0.272003D+00
                81            82            83            84            85 
      1   0.446268D+01 -0.856906D+01 -0.694551D+01 -0.106291D+01 -0.804470D+01
      2  -0.272003D+00 -0.694551D+01 -0.199606D+01  0.935687D+00 -0.387882D+01
      3   0.212984D+01 -0.106291D+01  0.935687D+00 -0.572641D+00  0.573011D+00
                86            87            88            89            90 
      1  -0.387882D+01  0.573011D+00  0.535101D+01  0.206739D+01 -0.266250D+00
      2   0.121701D+01  0.122816D+01  0.206739D+01  0.219794D+01  0.459465D+01
      3   0.122816D+01  0.362988D+01 -0.266250D+00  0.459465D+01 -0.506984D+00
                91            92            93            94            95 
      1  -0.163435D+01  0.141826D+01 -0.436138D+01  0.276007D+01 -0.356476D+00
      2   0.141826D+01  0.979882D+00 -0.103787D+01 -0.356476D+00 -0.433444D+01
      3  -0.436138D+01 -0.103787D+01 -0.124440D+01 -0.929818D+00  0.344958D+01
                96            97            98            99           100 
      1  -0.929818D+00 -0.741658D+01 -0.105123D+01 -0.322133D+01 -0.476458D+01
      2   0.344958D+01 -0.105123D+01  0.278130D+01  0.113006D+01 -0.196070D+00
      3   0.163369D+01 -0.322133D+01  0.113006D+01  0.415460D+01 -0.263204D+01
               101           102           103           104           105 
      1  -0.196070D+00 -0.263204D+01  0.665920D+00 -0.549453D+00  0.676114D+00
      2  -0.417767D+00  0.120756D+00 -0.549453D+00  0.518365D+00 -0.718616D+00
      3   0.120756D+00 -0.243880D+01  0.676114D+00 -0.718616D+00  0.615355D+00
               106           107           108           109           110 
      1  -0.413240D+01  0.274401D+00 -0.407780D+01 -0.762900D+01 -0.200480D+01
      2   0.274401D+00 -0.136849D+01 -0.961287D-01 -0.200480D+01 -0.107523D+01
      3  -0.407780D+01 -0.961287D-01 -0.520024D+01  0.263169D+01  0.781839D+00
               111           112           113           114           115 
      1   0.263169D+01 -0.167432D+01 -0.144261D+01  0.894690D+00  0.493848D+01
      2   0.781839D+00 -0.144261D+01 -0.116321D+01  0.902375D+00  0.148169D+01
      3  -0.214863D+01  0.894690D+00  0.902375D+00 -0.590389D+00 -0.349775D+01
               116           117           118           119           120 
      1   0.148169D+01 -0.349775D+01  0.565150D+00  0.517658D+00 -0.993323D+00
      2   0.158224D+01 -0.857189D+00  0.517658D+00 -0.334849D+00 -0.203861D+00
      3  -0.857189D+00  0.268052D+01 -0.993323D+00 -0.203861D+00  0.332643D+00
               121           122           123           124           125 
      1   0.149712D+01 -0.694820D+00 -0.107584D+00 -0.961297D+00 -0.291182D-01
      2  -0.694820D+00  0.686451D+00 -0.105056D+01 -0.291182D-01 -0.139222D+01
      3  -0.107584D+00 -0.105056D+01  0.134051D+01 -0.203688D+00  0.929549D+00
               126           127           128           129           130 
      1  -0.203688D+00  0.796020D+00 -0.193935D+00  0.741870D+00  0.161512D+00
      2   0.929549D+00 -0.193935D+00  0.115371D+01 -0.526512D+00  0.407461D+00
      3  -0.688200D+01  0.741870D+00 -0.526512D+00  0.628406D+00 -0.249073D+00
               131           132           133           134           135 
      1   0.407461D+00 -0.249073D+00  0.130717D+01 -0.265124D+00  0.179257D+00
      2  -0.436836D+01  0.182576D+01 -0.265124D+00  0.326028D+01 -0.278660D+01
      3   0.182576D+01 -0.193571D+01  0.179257D+00 -0.278660D+01  0.349781D+01
               136           137           138           139           140 
      1   0.108963D+01 -0.510343D+00 -0.705400D+00  0.905528D+00 -0.701754D+00
      2  -0.510343D+00  0.304123D+00 -0.307914D-01 -0.701754D+00 -0.663431D+01
      3  -0.705400D+00 -0.307914D-01  0.766038D-01 -0.473938D+00 -0.331442D+01
               141           142           143           144           145 
      1  -0.473938D+00 -0.226399D+01 -0.113793D+01 -0.655573D+00  0.424156D+00
      2  -0.331442D+01 -0.113793D+01 -0.497396D+01 -0.414404D+01 -0.400715D+00
      3  -0.263023D+01 -0.655573D+00 -0.414404D+01 -0.402755D+01  0.104848D+01
               146           147           148           149           150 
      1  -0.400715D+00  0.104848D+01 -0.680893D+00  0.634545D+00 -0.107994D+00
      2   0.642534D+00 -0.315506D+00  0.634545D+00 -0.426380D+01  0.232538D+01
      3  -0.315506D+00  0.353028D+00 -0.107994D+00  0.232538D+01 -0.330861D+01
               151           152           153           154           155 
      1   0.797028D+00 -0.243813D+00  0.826702D-01 -0.655121D+01  0.245644D+01
      2  -0.243813D+00  0.196753D+01 -0.202265D+01  0.245644D+01 -0.164573D+01
      3   0.826702D-01 -0.202265D+01  0.291486D+01  0.366697D+01 -0.139435D+01
               156           157           158           159           160 
      1   0.366697D+01  0.205789D+01 -0.155681D+01 -0.126869D+01  0.194694D+01
      2  -0.139435D+01 -0.155681D+01  0.162414D+01  0.170083D+01 -0.970703D+00
      3  -0.352913D+01 -0.126869D+01  0.170083D+01  0.145901D+01 -0.251180D+01
               161           162           163           164           165 
      1  -0.970703D+00 -0.251180D+01  0.346998D+01  0.201909D+01  0.141732D+01
      2   0.104920D+01  0.111123D+01  0.201909D+01  0.229221D+01  0.107335D+01
      3   0.111123D+01  0.275245D+01  0.141732D+01  0.107335D+01  0.196018D+01
               166           167           168           169           170 
      1   0.189183D+01  0.160770D+01  0.542516D+00  0.595130D+00  0.433964D+00
      2   0.160770D+01  0.302795D+01  0.189151D+01  0.433964D+00  0.102245D+01
      3   0.542516D+00  0.189151D+01  0.176478D+01  0.872342D+00  0.977524D+00
               171           172           173           174           175 
      1   0.872342D+00  0.265440D+01  0.226499D+01  0.417720D+00  0.167865D+01
      2   0.977524D+00  0.226499D+01  0.407003D+01 -0.167281D+00  0.186506D+01
      3   0.127273D+01  0.417720D+00 -0.167281D+00  0.856388D+00 -0.392714D-02
               176           177           178           179           180 
      1   0.186506D+01 -0.392714D-02  0.812603D+00 -0.847165D-01  0.380365D+00
      2   0.545358D+01  0.261449D+00 -0.847165D-01  0.106295D+01  0.863605D+00
      3   0.261449D+00  0.643418D+00  0.380365D+00  0.863605D+00 -0.232431D+00
               181           182           183           184           185 
      1  -0.751357D+01  0.439781D+01  0.119851D+01  0.211471D+01 -0.270289D+01
      2   0.439781D+01 -0.325029D+01 -0.532579D+00 -0.270289D+01  0.321442D+01
      3   0.119851D+01 -0.532579D+00 -0.140866D+01 -0.658763D+00  0.798927D+00
               186           187           188           189           190 
      1  -0.658763D+00  0.294880D+01 -0.148852D+01 -0.151448D+01 -0.122900D+01
      2   0.798927D+00 -0.148852D+01  0.194142D+01  0.870520D+00  0.762131D+00
      3   0.449407D+00 -0.151448D+01  0.870520D+00  0.618744D+00 -0.103855D+01
               191           192           193           194           195 
      1   0.762131D+00 -0.103855D+01  0.223887D+00  0.480785D-01 -0.107580D+00
      2  -0.392599D-01  0.526395D-01  0.480785D-01 -0.178789D+00 -0.768890D+00
      3   0.526395D-01 -0.977659D+00 -0.107580D+00 -0.768890D+00 -0.340842D+00
               196           197           198           199           200 
      1  -0.130625D+01  0.404267D+00 -0.190340D+01 -0.164085D+01 -0.486449D+00
      2   0.404267D+00 -0.160179D+01  0.119708D+01 -0.486449D+00  0.460201D-01
      3  -0.190340D+01  0.119708D+01 -0.830116D+01  0.914299D+00 -0.636763D-01
               201           202           203           204           205 
      1   0.914299D+00 -0.114143D+01  0.901603D+00  0.314125D+00  0.169896D+01
      2  -0.636763D-01  0.901603D+00 -0.719601D+00  0.110472D+01  0.423519D+00
      3  -0.283434D-02  0.314125D+00  0.110472D+01 -0.127659D+01 -0.369895D+00
               206           207           208           209           210 
      1   0.423519D+00 -0.369895D+00  0.149380D+01  0.691665D+00 -0.124465D+01
      2   0.138128D+01 -0.123636D+01  0.691665D+00  0.410080D-01 -0.501538D-01
      3  -0.123636D+01  0.464914D+01 -0.124465D+01 -0.501538D-01 -0.265036D+00
               211           212           213           214           215 
      1   0.929527D+00 -0.182582D+00 -0.737672D+00 -0.179861D+01 -0.583794D+00
      2  -0.182582D+00  0.647432D+00 -0.100244D+01 -0.583794D+00 -0.137863D+01
      3  -0.737672D+00 -0.100244D+01  0.187662D+01  0.100417D+01  0.178104D+01
               216           217           218           219           220 
      1   0.100417D+01  0.247438D+01 -0.885994D+00 -0.696181D+00 -0.227338D+01
      2   0.178104D+01 -0.885994D+00  0.185404D+00  0.502486D+00  0.106160D+01
      3  -0.641257D+01 -0.696181D+00  0.502486D+00  0.820279D+00  0.133968D+01
               221           222           223           224           225 
      1   0.106160D+01  0.133968D+01 -0.312343D+01  0.346669D+00  0.316605D+01
      2  -0.150698D+01 -0.225274D+01  0.346669D+00 -0.213934D+01 -0.175413D+01
      3  -0.225274D+01 -0.278544D+01  0.316605D+01 -0.175413D+01 -0.668533D+01
               226           227           228           229           230 
      1   0.952048D+01  0.225575D+00  0.232710D+01 -0.540461D+00  0.129567D+01
      2   0.225575D+00  0.102700D+01  0.201312D+00  0.129567D+01  0.388883D+00
      3   0.232710D+01  0.201312D+00  0.155896D+01  0.147923D+00  0.162403D+00
               231           232           233           234           235 
      1   0.147923D+00  0.482568D+01  0.414003D+00  0.215580D+01  0.828737D+00
      2   0.162403D+00  0.414003D+00  0.613111D+00 -0.825270D-01  0.781609D+00
      3  -0.290300D+00  0.215580D+01 -0.825270D-01  0.163052D+01  0.368292D+00
               236           237           238           239           240 
      1   0.781609D+00  0.368292D+00  0.304149D+01  0.179999D+01 -0.713172D+00
      2  -0.627197D+00  0.383978D+00  0.179999D+01  0.774034D+01 -0.259610D+01
      3   0.383978D+00 -0.254152D+00 -0.713172D+00 -0.259610D+01  0.181161D+01
               241           242           243 
      1  -0.811846D+00 -0.380234D+00  0.124182D+01
      2  -0.380234D+00 -0.199991D+01  0.159451D+01
      3   0.124182D+01  0.159451D+01 -0.224190D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.583030D+01 -0.443502D+01  0.118446D+01 -0.378218D+01  0.669434D+01
      2   0.606610D+01  0.777319D+01  0.912702D+01  0.644249D+01  0.117971D+02
      3  -0.796555D+01 -0.916163D+01 -0.156868D+01 -0.420382D+01  0.121088D+01
                 6             7             8             9            10 
      1  -0.131397D+02  0.231164D+00 -0.593421D+01  0.734497D+00 -0.205355D+01
      2  -0.384255D+01  0.200964D+01 -0.254136D+01 -0.808457D+01 -0.192180D+02
      3  -0.615746D+01 -0.364851D+00 -0.601080D+01  0.190873D+01  0.159457D+02
                11            12            13            14            15 
      1   0.249091D+01  0.110992D+01  0.447959D+01 -0.503101D+01 -0.383034D+01
      2   0.151483D+01  0.773820D+01  0.297970D+01 -0.948938D+01 -0.752129D+00
      3   0.470051D+01  0.262435D+01  0.156499D+02  0.690096D+01  0.650755D+01
                16            17            18            19            20 
      1   0.200738D+01  0.704652D+01  0.333855D+01  0.100491D-01 -0.161162D+01
      2   0.702029D+01 -0.105041D+01  0.969195D+01  0.262569D+02  0.943938D+00
      3  -0.381956D+01  0.703981D+01 -0.185905D+00 -0.214708D+02 -0.719089D+01
                21            22            23            24            25 
      1  -0.111434D+01 -0.811796D+01 -0.269728D+01 -0.315312D+01 -0.291311D+01
      2   0.250664D+01 -0.197969D+01  0.676014D+01  0.463949D+01 -0.148591D+02
      3  -0.531916D+00  0.202872D+01 -0.675595D+01 -0.200586D+01 -0.256904D+00
                26            27            28            29            30 
      1   0.200936D+01  0.508787D+01  0.398546D+01 -0.322450D+00  0.161605D+00
      2   0.329147D+01 -0.292485D+01 -0.363672D+02 -0.411766D+01 -0.316761D+01
      3  -0.287117D+01 -0.185428D+01  0.185321D+02  0.739209D+01  0.126247D+01
                31            32            33            34            35 
      1   0.361512D+01  0.258094D+01 -0.252714D+01  0.220200D+01  0.199933D+00
      2  -0.121857D+02 -0.379038D+01 -0.119961D+01 -0.133562D+02 -0.151656D+01
      3   0.332084D+02  0.671594D+01  0.178325D+00  0.258842D+01  0.790155D+00
                36            37            38            39            40 
      1  -0.422965D+01 -0.293960D+01 -0.919045D+00 -0.718237D+00 -0.747833D+01
      2  -0.135053D+01  0.439765D+02  0.352362D+01  0.124784D+02  0.140616D+02
      3  -0.159932D-01 -0.150279D+02 -0.116486D+02 -0.170424D+01 -0.888318D+01
                41            42            43            44            45 
      1  -0.299886D+00 -0.484858D+01  0.149901D+01  0.981405D-01 -0.857400D+00
      2   0.316473D+01 -0.176125D+01 -0.127479D+02 -0.372857D+01  0.631863D+01
      3  -0.628938D+01  0.781998D+00 -0.121458D+01 -0.107735D+01  0.152415D+01
                46            47            48            49            50 
      1   0.171186D+00  0.241391D+01  0.250905D+01 -0.530713D+01  0.403755D+01
      2  -0.136738D+02 -0.380476D+01 -0.357029D+01  0.485432D+01 -0.262329D+01
      3   0.387270D+00  0.122938D+02  0.552722D+01  0.251488D+02  0.124964D+01
                51            52            53            54            55 
      1  -0.675678D+01  0.253472D+01 -0.385687D+01 -0.258493D+01  0.117816D+01
      2   0.705379D+01 -0.481666D+02  0.539076D+00 -0.272778D+02  0.354150D+01
      3   0.206162D+01  0.536744D+01  0.968500D+01 -0.162038D+01  0.702638D+00
                56            57            58            59            60 
      1  -0.753096D+00 -0.543733D+00 -0.197401D+00 -0.292110D+01 -0.181027D+01
      2  -0.733564D+00  0.703307D+01 -0.823041D+01  0.863782D+01 -0.905898D+01
      3  -0.760160D+01 -0.238243D+00 -0.715166D+01  0.678781D+01 -0.780578D+01
                61            62            63            64            65 
      1  -0.166314D+01  0.880666D+01  0.608022D+00  0.846347D+01 -0.174162D+01
      2   0.283257D+02 -0.434454D+01  0.432694D+02  0.873753D+01 -0.677930D+01
      3  -0.397732D+01 -0.133149D+02  0.327767D+01 -0.969607D+01 -0.200339D+02
                66            67            68            69            70 
      1  -0.394679D+01 -0.210963D+01  0.762224D+01 -0.186966D+01 -0.678421D+01
      2  -0.220833D+01 -0.617975D+01  0.530627D+01 -0.151995D+01 -0.939991D+01
      3  -0.168005D+01 -0.102506D+02 -0.642328D+01 -0.419140D+01 -0.889479D-01
                71            72            73            74            75 
      1   0.495622D+01 -0.155558D+02 -0.480444D+00 -0.191030D+01  0.371074D+01
      2   0.799404D+00 -0.149251D+02  0.485581D+01  0.803006D+01 -0.997314D+01
      3  -0.446557D+01  0.371145D+01  0.523773D+01 -0.211561D+02 -0.758877D+01
                76            77            78            79            80 
      1  -0.184505D+01 -0.479729D+00 -0.263266D+01  0.542335D+01  0.207203D+01
      2   0.108737D+02  0.263674D+01  0.662827D+00 -0.226567D+02 -0.159141D+01
      3  -0.146039D+02 -0.498482D+01 -0.234151D+01 -0.901477D+01 -0.144713D+01
                81            82            83            84            85 
      1   0.216799D+01  0.197014D+01  0.450235D+01 -0.208224D+01  0.587673D+01
      2  -0.543988D+01 -0.499666D+01 -0.660315D+01  0.258086D+01 -0.875947D+01
      3  -0.510040D+01 -0.663377D+01  0.771851D+01  0.267421D+01  0.196115D+02
                86            87            88            89            90 
      1   0.460045D+01  0.672267D+01 -0.241217D+01  0.156337D+02 -0.331791D+01
      2  -0.483994D+01 -0.563616D+01  0.133505D+00 -0.635123D+01  0.131091D+01
      3   0.819811D+01 -0.488884D-01  0.349288D+01 -0.395062D+00  0.967211D+01
                91            92            93            94            95 
      1   0.689078D+00 -0.231253D+01  0.983406D+00  0.564870D+01  0.276535D+01
      2  -0.191275D+02 -0.256853D+01 -0.473583D+01 -0.319035D+01  0.147714D+02
      3  -0.727301D+01 -0.110319D+02  0.216681D+01  0.121981D+02  0.204648D+02
                96            97            98            99           100 
      1  -0.833092D+01  0.457328D+01 -0.413915D+00 -0.393922D+01 -0.212401D+01
      2   0.824495D+01 -0.230978D+02  0.376636D+01  0.151887D+02  0.597253D+01
      3  -0.199376D+02  0.420374D+01 -0.107380D+02 -0.761431D+01  0.357491D+01
               101           102           103           104           105 
      1   0.107227D+01 -0.215097D+01  0.729211D+00 -0.122126D+01  0.516103D-01
      2  -0.792985D+00  0.887380D+01 -0.207437D+01  0.219052D+01 -0.199637D+01
      3  -0.241934D+01  0.290324D+01 -0.460482D+00  0.294003D+01 -0.296815D+01
               106           107           108           109           110 
      1  -0.353903D+01  0.289487D+01 -0.453454D+01  0.287361D+01 -0.104450D+00
      2   0.966444D+01  0.928296D-01  0.166650D+02 -0.101513D+02 -0.307272D+01
      3   0.477484D+01 -0.604550D+01  0.343273D+01  0.107639D+01 -0.430244D+01
               111           112           113           114           115 
      1  -0.268901D+01  0.145114D+01  0.633199D+00 -0.165125D+01 -0.326369D+01
      2   0.104233D+02 -0.360828D+01 -0.348210D+01  0.268155D+01  0.114477D+02
      3   0.109929D+00 -0.778885D+00 -0.277155D+01  0.222308D+01  0.513985D+00
               116           117           118           119           120 
      1   0.708307D+00  0.320981D+01 -0.116926D+01  0.177334D+00  0.153197D+00
      2   0.293905D+01 -0.115914D+02  0.296461D+01  0.688887D+00  0.103061D+00
      3   0.558218D+01  0.550976D+00  0.306398D+00 -0.105955D+01  0.444177D+00
               121           122           123           124           125 
      1  -0.106062D+01 -0.194859D+01  0.540307D+00 -0.553554D+00  0.418908D+01
      2   0.124777D+01  0.117065D+00 -0.162156D+01 -0.382469D+01 -0.875447D+00
      3   0.218845D+01  0.489616D+00 -0.498434D+00  0.516964D+00 -0.954930D+00
               126           127           128           129           130 
      1  -0.384516D+01  0.222542D+01 -0.144972D+01  0.226196D+01 -0.109765D+01
      2   0.653698D+01 -0.119398D+01  0.115666D+01 -0.986667D-02  0.155729D+01
      3   0.111652D+01 -0.256526D+01  0.115504D+01 -0.288799D+01  0.224727D+01
               131           132           133           134           135 
      1   0.501429D+01 -0.671476D+01  0.877978D+00 -0.564013D+01  0.112286D+02
      2  -0.293456D+01  0.305369D+01 -0.177219D+01  0.467062D+01 -0.586485D+01
      3  -0.868467D+01  0.409806D+01 -0.475530D+01  0.644787D+01 -0.625340D+01
               136           137           138           139           140 
      1  -0.162327D+01 -0.520185D+00  0.304073D+00 -0.592055D+00 -0.250065D+01
      2   0.195235D+01 -0.164198D+00  0.295513D+00  0.130889D+00  0.534149D+01
      3  -0.152304D+01  0.601878D+00  0.141082D+01  0.172673D+01 -0.114418D+02
               141           142           143           144           145 
      1  -0.624199D+01  0.106761D-01 -0.444375D+01 -0.758395D+01 -0.154664D+01
      2   0.452439D+01 -0.227159D+01  0.650956D+01  0.660060D+01 -0.415073D+01
      3  -0.538679D+01  0.264332D+01 -0.758026D+01 -0.713292D+01 -0.735383D+00
               146           147           148           149           150 
      1   0.235385D+01 -0.710696D+00  0.208262D+01 -0.130420D+02  0.418443D+01
      2   0.183995D+01 -0.188735D+01  0.353664D+01 -0.662528D+01  0.689344D+01
      3   0.392142D+00 -0.277657D-01  0.282282D+01 -0.704994D+01  0.379442D+01
               151           152           153           154           155 
      1  -0.742772D+00  0.676371D+01 -0.502991D+01  0.212877D+01 -0.319001D+01
      2  -0.351541D+01  0.483181D+01 -0.580813D+01  0.503272D+01 -0.154247D+01
      3  -0.681316D+00  0.304696D+01 -0.342913D+01  0.476382D+00 -0.381534D+01
               156           157           158           159           160 
      1   0.722414D+00 -0.196710D+01  0.200337D+01  0.799892D+00 -0.575900D+00
      2   0.341216D+01 -0.263251D+01 -0.105408D+01 -0.135029D+01 -0.195543D+01
      3  -0.667213D+00 -0.602007D+00  0.296475D+01  0.254991D+01  0.253814D+00
               161           162           163           164           165 
      1   0.279853D+01 -0.360329D+00  0.280928D+01  0.449262D+01 -0.711527D+00
      2  -0.578399D-01 -0.147766D+01 -0.127082D+02 -0.692628D+01 -0.521465D+01
      3   0.213496D+01  0.461622D+00  0.872962D+01  0.460796D+01  0.317671D+01
               166           167           168           169           170 
      1   0.284059D+01  0.449706D+01  0.351494D+00  0.755025D-01  0.266556D+01
      2  -0.657603D+01 -0.773021D+01 -0.377961D+01 -0.495338D+01 -0.319300D+01
      3   0.670472D+01  0.626274D+01  0.404597D+01  0.155722D+01  0.193496D+01
               171           172           173           174           175 
      1   0.721475D+00 -0.249424D+01 -0.183351D+01 -0.318651D+01 -0.138758D+01
      2  -0.413093D+01  0.130557D+01  0.198337D+01 -0.660140D-03  0.146320D+01
      3   0.296184D+01  0.155518D+02  0.140614D+02  0.781353D+00  0.111997D+02
               176           177           178           179           180 
      1  -0.374725D+01 -0.348280D+01 -0.989039D+00 -0.107197D+01 -0.156098D-01
      2   0.109504D+01 -0.537153D+00 -0.131741D+01 -0.177729D+01  0.795197D+00
      3   0.181098D+02  0.753625D+00  0.165888D+01  0.237331D+01  0.311380D+01
               181           182           183           184           185 
      1  -0.520765D+01  0.278436D+01  0.470304D+01  0.322965D+01 -0.351409D+01
      2  -0.688142D+01  0.375259D+01  0.681418D+01  0.303282D+01 -0.367582D+01
      3  -0.347594D+01 -0.251213D+01  0.141142D+01  0.183095D+01  0.390437D+01
               186           187           188           189           190 
      1  -0.289013D+01  0.370942D+01 -0.137870D+01 -0.211067D+01  0.149348D+01
      2  -0.252113D+01  0.444525D+01 -0.266229D+01 -0.295468D+01  0.166024D+01
      3   0.764809D+00  0.726910D+00  0.326137D+01 -0.663022D+00  0.442733D+00
               191           192           193           194           195 
      1   0.152534D+00  0.223842D+01 -0.162170D+00  0.221668D+01  0.349524D+00
      2   0.222121D+00  0.245193D+01  0.599263D-01  0.194529D+01  0.814755D+00
      3   0.389204D+00 -0.171652D+01  0.107509D+01 -0.467758D+00 -0.190787D+01
               196           197           198           199           200 
      1   0.355817D+01  0.250197D+01  0.175849D+02  0.647210D-01  0.519201D+00
      2   0.712356D+00 -0.234972D+01  0.192869D+02 -0.357335D+00 -0.463363D+00
      3  -0.189339D+01 -0.388217D+01  0.427025D+00  0.115380D+01 -0.410870D-01
               201           202           203           204           205 
      1  -0.248209D+00  0.525384D+01 -0.211826D-02 -0.148345D+01  0.102480D+01
      2  -0.556936D+00  0.163776D+01  0.158728D+01  0.775683D-01 -0.401874D+01
      3  -0.573414D+00  0.120266D+01  0.344562D+00 -0.801865D+00 -0.220615D+01
               206           207           208           209           210 
      1   0.252755D+01  0.393296D+01 -0.166216D+01  0.357152D-01  0.325472D-01
      2   0.662356D+00  0.318304D+01 -0.137815D+01  0.521963D+00 -0.103835D+01
      3  -0.144414D+01  0.311737D+00 -0.304629D+01 -0.598556D+00  0.537582D-02
               211           212           213           214           215 
      1   0.631953D+01 -0.619011D+00 -0.377108D-01  0.234563D+01  0.429829D+01
      2  -0.152467D+01 -0.217316D+01  0.302703D+01 -0.301702D+01  0.274235D+01
      3   0.964182D+01 -0.366843D+00  0.196226D+01  0.333926D+01  0.331596D+01
               216           217           218           219           220 
      1  -0.309426D+00  0.444487D+00 -0.510870D+00 -0.737182D+00 -0.224173D+01
      2  -0.105825D+02 -0.664767D+00  0.139384D+01  0.380729D+01  0.386573D+01
      3  -0.354837D+01  0.207134D+01 -0.252660D+01 -0.194236D+01 -0.715993D+01
               221           222           223           224           225 
      1   0.296438D+01  0.263105D+01 -0.256815D+01  0.424675D+01  0.501212D+01
      2  -0.887271D+01 -0.116600D+02  0.897278D+01 -0.750081D+01 -0.264185D+02
      3   0.689164D+01  0.114924D+02 -0.426557D+01  0.919441D+01  0.106618D+02
               226           227           228           229           230 
      1  -0.152237D+01 -0.820078D-01 -0.102550D+01 -0.880386D+00 -0.379101D+00
      2   0.165629D+02  0.901611D+00  0.107749D+02  0.323350D+00  0.120673D+01
      3   0.320091D+01 -0.613447D+01  0.462458D+00 -0.373024D+01 -0.867755D+00
               231           232           233           234           235 
      1  -0.526457D+00 -0.126141D+01  0.819719D+00 -0.751837D+00  0.146171D+00
      2  -0.116982D+01  0.103588D+02 -0.355839D+00  0.935669D+01  0.586671D+00
      3  -0.910873D+00  0.370062D+00 -0.325343D+01  0.123719D+01 -0.719049D+00
               236           237           238           239           240 
      1   0.701373D+00 -0.209882D+00 -0.190261D+01 -0.581872D+01 -0.259093D+00
      2   0.191426D+01  0.498506D+00  0.874130D+00 -0.926671D+01  0.673309D+01
      3   0.362215D+01 -0.242488D+01 -0.604294D+01 -0.345889D+02  0.123521D+02
               241           242           243 
      1  -0.646218D-01  0.180206D+01 -0.899129D-02
      2   0.322158D+01  0.630835D+01 -0.797607D+01
      3   0.530903D+00  0.867349D+01 -0.695126D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.126140D+01  0.176949D+02  0.165606D+02  0.164070D+02  0.126571D+02
      2   0.251962D+01 -0.146900D+02 -0.122120D+02 -0.137557D+02  0.420894D+01
      3  -0.378102D+01 -0.300495D+01 -0.434860D+01 -0.265134D+01 -0.168661D+02
      4   0.195058D+02 -0.249113D+01 -0.115566D+02 -0.124412D+01 -0.940653D+01
      5   0.243089D+02 -0.174112D+02 -0.193516D+02 -0.183823D+02  0.981001D+01
      6  -0.176160D+02 -0.474560D+01  0.526919D+01 -0.318435D+01  0.196491D+01
                 6             7             8             9            10 
      1  -0.494435D+01  0.126722D+02 -0.537195D+01 -0.135542D+02 -0.194693D+02
      2  -0.293782D+01 -0.820213D+01 -0.382787D+01 -0.158552D+01  0.209820D+02
      3   0.788218D+01 -0.447004D+01  0.919982D+01  0.151397D+02 -0.151264D+01
      4   0.144409D+02 -0.114234D+02  0.132210D+02  0.443633D+00 -0.357003D+02
      5  -0.189044D+00 -0.171008D+02  0.650923D+00 -0.709315D+01 -0.122750D+02
      6  -0.124907D+02  0.469106D+01 -0.107963D+02  0.773088D+01  0.495256D+01
                11            12            13            14            15 
      1  -0.211330D+02 -0.782228D+01 -0.246199D+02 -0.229160D+02 -0.435469D+01
      2   0.130009D+02  0.349956D+01  0.153752D+02  0.723366D+01  0.660399D+01
      3   0.813207D+01  0.432272D+01  0.924473D+01  0.156823D+02 -0.224931D+01
      4  -0.204792D+01  0.411837D+01 -0.146496D+01 -0.537272D+01 -0.148828D+02
      5   0.233976D+01  0.889261D+01  0.456865D+01 -0.124236D+02  0.116235D+01
      6  -0.354827D+01 -0.108357D+01 -0.186819D+01  0.104226D+02  0.100556D+00
                16            17            18            19            20 
      1   0.781254D+00 -0.343465D+01  0.118219D+02  0.588923D+02  0.888105D+01
      2  -0.848718D+01  0.911666D+01 -0.469738D+01 -0.590103D+02 -0.104656D+02
      3   0.770592D+01 -0.568201D+01 -0.712456D+01  0.118069D+00  0.158452D+01
      4   0.840069D+01 -0.185947D+02 -0.193899D+01  0.556168D+01 -0.149594D+02
      5   0.104752D+02 -0.575414D+00  0.186466D+02 -0.713749D+01 -0.389894D+01
      6  -0.238768D+01 -0.146379D+01 -0.907829D+01 -0.125944D+02 -0.366572D+01
                21            22            23            24            25 
      1   0.308584D+01  0.110007D+02  0.896945D+01 -0.194990D+01  0.320017D+01
      2  -0.382714D+01 -0.152062D+02 -0.113643D+02 -0.370461D+01  0.261187D+00
      3   0.741303D+00  0.420547D+01  0.239488D+01  0.565451D+01 -0.346135D+01
      4  -0.399859D+01 -0.323399D+02 -0.568683D+01  0.426439D+01 -0.853920D+01
      5   0.700245D+00 -0.827877D+01  0.329079D+00  0.522892D+01 -0.385325D+01
      6  -0.987216D+00 -0.798583D+01 -0.385871D+01  0.166103D+01 -0.150040D+01
                26            27            28            29            30 
      1  -0.172699D+01  0.698983D+01 -0.127904D+03 -0.650439D+01 -0.409944D+01
      2  -0.430668D+01  0.107923D+02  0.944558D+02  0.519796D+01  0.237517D+01
      3   0.603367D+01 -0.177821D+02  0.334483D+02  0.130643D+01  0.172428D+01
      4   0.625157D+01  0.525364D+01  0.296056D+01 -0.866878D+01 -0.143542D+01
      5   0.353255D+01 -0.674763D+01  0.555891D+01 -0.134756D+01 -0.969493D+01
      6   0.358688D+01  0.208276D+01  0.167032D+02  0.480918D+01  0.122624D+01
                31            32            33            34            35 
      1  -0.309589D+02 -0.249243D+02 -0.739474D+01  0.288131D+02 -0.367299D+01
      2   0.262829D+02  0.238363D+02  0.422897D+01 -0.166581D+02  0.446177D+01
      3   0.467594D+01  0.108799D+01  0.316576D+01 -0.121550D+02 -0.788783D+00
      4  -0.769383D+01 -0.871308D+01 -0.243353D+01 -0.994245D+00 -0.169807D+00
      5  -0.680871D+00 -0.785807D+00 -0.209887D+01  0.114404D+01  0.200341D+01
      6   0.254014D+01  0.676751D+01  0.398723D+01 -0.714898D+00 -0.464511D+00
                36            37            38            39            40 
      1  -0.350957D+01  0.156128D+03  0.104763D+02  0.890730D+01  0.322386D+02
      2  -0.984385D+00 -0.109588D+03 -0.686173D+01 -0.617698D+01 -0.168982D+02
      3   0.449395D+01 -0.465402D+02 -0.361457D+01 -0.273033D+01 -0.153405D+02
      4   0.247195D+01 -0.609638D+01  0.161444D+02  0.126354D+01  0.299852D+02
      5  -0.208562D+01  0.126399D+02  0.284870D+01  0.180635D+02  0.672071D+01
      6   0.494492D+01 -0.176934D+02 -0.468078D+01 -0.280020D+01 -0.109463D+02
                41            42            43            44            45 
      1   0.389869D+01 -0.234704D+01 -0.301746D+02 -0.795840D+01  0.125959D+02
      2   0.334185D+01 -0.315752D+01  0.195198D+02  0.310678D+01 -0.173546D+01
      3  -0.724054D+01  0.550456D+01  0.106548D+02  0.485162D+01 -0.108604D+02
      4   0.684334D+01 -0.244768D+01  0.318347D+01 -0.313041D+01 -0.698212D+01
      5  -0.185709D+01 -0.501515D+01  0.248532D+02 -0.508822D+01  0.805472D+01
      6  -0.732932D+00  0.441614D+01 -0.214355D+01  0.311455D+01  0.608716D+01
                46            47            48            49            50 
      1  -0.696603D+02 -0.456986D+01  0.429852D+01  0.427169D+01 -0.401622D+01
      2   0.495228D+02 -0.191798D+01  0.768861D+00 -0.804234D+01  0.664279D+01
      3   0.201375D+02  0.648784D+01 -0.506738D+01  0.377065D+01 -0.262657D+01
      4  -0.288569D+01 -0.146975D+02  0.339042D+01 -0.241595D+01  0.270326D+01
      5  -0.883302D+01  0.338458D+00 -0.134638D+02  0.212969D+02 -0.613120D+01
      6   0.120498D+02  0.126407D+01  0.186469D+00 -0.244754D+01  0.517893D+01
                51            52            53            54            55 
      1   0.652874D+01 -0.479574D+02  0.292986D+01 -0.138961D+02  0.309822D+02
      2  -0.842696D+01  0.440801D+02  0.180634D+01  0.191197D+02 -0.181922D+02
      3   0.189822D+01  0.387726D+01 -0.473620D+01 -0.522361D+01 -0.127900D+02
      4  -0.763032D+01  0.233824D+02 -0.813942D+01  0.104454D+02 -0.889483D+01
      5   0.883936D+01 -0.563319D+02  0.581413D+01 -0.434674D+02  0.226644D+02
      6   0.283932D+01  0.132663D+02 -0.596733D+01  0.690449D+01 -0.211979D+01
                56            57            58            59            60 
      1  -0.411189D+01  0.127810D+02 -0.240314D+02 -0.102903D+01 -0.193428D+01
      2   0.316838D+01 -0.847900D+01  0.150883D+02  0.201230D+01  0.248397D+01
      3   0.943507D+00 -0.430200D+01  0.894312D+01 -0.983264D+00 -0.549687D+00
      4   0.127704D+02 -0.455075D+01  0.231058D+02 -0.161159D+02  0.210546D+02
      5  -0.356578D+01  0.202993D+02 -0.169692D+02  0.204545D+02 -0.128094D+02
      6   0.186633D+01 -0.151842D+01  0.107034D+02 -0.853767D+01  0.135199D+02
                61            62            63            64            65 
      1   0.682854D+02  0.372487D+01 -0.219961D-01 -0.275097D+01  0.353325D+02
      2  -0.532880D+02 -0.272829D+01 -0.297026D+02 -0.190456D+02 -0.241156D+02
      3  -0.149974D+02 -0.996580D+00  0.297246D+02  0.217966D+02 -0.112169D+02
      4  -0.138769D+02  0.177217D+02 -0.156514D+02  0.347216D+02 -0.186324D+02
      5   0.637637D+02 -0.102376D+02  0.758048D+02  0.884182D+01 -0.226593D+01
      6  -0.116287D+02  0.145191D+02 -0.908316D+01 -0.729856D+01  0.626647D+01
                66            67            68            69            70 
      1   0.105989D+02  0.314539D+02  0.519178D+01 -0.266210D+00  0.106508D+02
      2  -0.499515D+00 -0.197349D+02 -0.573547D+01 -0.660296D+01  0.468822D+01
      3  -0.100994D+02 -0.117191D+02  0.543691D+00  0.686917D+01 -0.153390D+02
      4  -0.122827D+02 -0.141053D+02 -0.546755D+01  0.145056D+02 -0.179836D+02
      5  -0.461726D+01 -0.373302D+01  0.140943D+02 -0.522215D+01 -0.636243D+01
      6   0.415551D+01  0.759897D+01 -0.119890D+02  0.469995D+01  0.554818D+01
                71            72            73            74            75 
      1  -0.230553D+01 -0.301422D+01 -0.756952D+01 -0.969287D+01  0.344780D+01
      2  -0.933135D+01  0.165951D+02  0.487252D+01  0.763640D+01  0.461524D+01
      3   0.116369D+02 -0.135809D+02  0.269700D+01  0.205647D+01 -0.806304D+01
      4   0.171186D+02  0.341293D+01 -0.803728D+01  0.106542D+02  0.112007D+02
      5  -0.105165D+01 -0.325070D+02  0.104656D+02  0.107621D+02 -0.258273D+02
      6   0.477787D+01  0.188668D+02  0.296957D+01  0.755582D+01 -0.320854D+01
                76            77            78            79            80 
      1  -0.116191D+02  0.308597D+02  0.177075D+02  0.926823D+01  0.183481D+02
      2   0.980833D+01 -0.145000D+02 -0.993013D+01  0.384160D+01 -0.104992D+02
      3   0.181076D+01 -0.163597D+02 -0.777739D+01 -0.131098D+02 -0.784891D+01
      4   0.229283D+02  0.199675D+02  0.923602D+01  0.199952D+02  0.123998D+02
      5   0.177102D+02  0.698390D+01  0.278633D+01 -0.370792D+02  0.112711D+00
      6   0.698642D+01  0.148347D+01  0.753522D+00 -0.553033D+01  0.164707D+01
                81            82            83            84            85 
      1  -0.306795D+02 -0.364318D+02  0.650745D+01  0.548501D+01  0.862018D+01
      2   0.230602D+02  0.402419D+02  0.503018D+01 -0.604643D+01  0.455574D+01
      3   0.761929D+01 -0.381011D+01 -0.115376D+02  0.561424D+00 -0.131759D+02
      4  -0.479636D+01  0.227416D+02  0.175714D+02 -0.110352D+01  0.227769D+02
      5  -0.154403D+02  0.488693D+01  0.444583D+00  0.259549D+01 -0.104415D+01
      6   0.193837D+01  0.105857D+02 -0.214693D+01  0.259270D+01 -0.983355D+00
                86            87            88            89            90 
      1   0.696978D+01 -0.924146D+00  0.177911D+02  0.256331D+01  0.227816D+02
      2  -0.941472D+00  0.177295D+01 -0.183562D+02 -0.219165D+01 -0.247544D+02
      3  -0.602830D+01 -0.848809D+00  0.565119D+00 -0.371663D+00  0.197284D+01
      4  -0.301613D+00 -0.762048D+01 -0.618850D+01 -0.121015D+02 -0.118664D+02
      5  -0.319300D+01 -0.117821D+02  0.233853D+01 -0.151790D+02  0.201975D+01
      6  -0.943304D+01 -0.198066D+02 -0.162760D+01 -0.286629D+02 -0.422731D+01
                91            92            93            94            95 
      1  -0.222503D+02  0.718510D+01 -0.371813D+02  0.186064D+02  0.121775D+02
      2   0.959342D+01 -0.162572D+01  0.173596D+02 -0.146383D+02 -0.115782D+02
      3   0.126569D+02 -0.555938D+01  0.198218D+02 -0.396809D+01 -0.599227D+00
      4   0.124395D+02  0.122389D+02 -0.105937D+02 -0.404488D+01 -0.319203D+02
      5  -0.419886D+02 -0.973734D+01 -0.411693D+01 -0.116128D+02  0.256727D+02
      6  -0.605078D+01 -0.410858D+01  0.217818D+01  0.252205D+01  0.980430D+01
                96            97            98            99           100 
      1  -0.911157D+01 -0.543199D+02 -0.888577D+01 -0.185990D+02  0.358500D+02
      2   0.154628D+02  0.248301D+02  0.118543D+02  0.151830D+02 -0.237521D+02
      3  -0.635124D+01  0.294898D+02 -0.296857D+01  0.341601D+01 -0.120979D+02
      4   0.277767D+02 -0.117499D+02  0.210320D+02  0.118266D+02  0.589508D+01
      5   0.181809D+02 -0.228937D+02  0.121273D+02  0.315783D+02  0.253315D+02
      6  -0.788002D+01  0.306216D+01 -0.475625D+01 -0.574145D+01  0.193641D+01
               101           102           103           104           105 
      1   0.143146D+01  0.170342D+02 -0.471082D+01  0.132092D+01 -0.468889D+01
      2  -0.315226D+00 -0.130939D+02  0.373233D+01 -0.176000D+01  0.404287D+01
      3  -0.111623D+01 -0.394030D+01  0.978492D+00  0.439081D+00  0.646015D+00
      4   0.508359D+01  0.117969D+01  0.619917D+01 -0.322806D+01  0.555710D+01
      5  -0.938836D+00  0.231571D+02 -0.572271D+01  0.668357D+01 -0.451871D+01
      6   0.111258D+01  0.253221D+01  0.209762D+01 -0.106222D+00  0.383837D+01
               106           107           108           109           110 
      1   0.260360D+02 -0.240881D+01  0.189572D+02  0.591385D+02  0.135120D+02
      2  -0.220320D+02  0.293017D+01 -0.228895D+02 -0.296467D+02 -0.491057D+01
      3  -0.400398D+01 -0.521353D+00  0.393228D+01 -0.294918D+02 -0.860144D+01
      4   0.222451D+01  0.869850D+01  0.383305D+01  0.255932D+02  0.131902D+02
      5   0.363313D+02  0.633865D+00  0.407012D+02 -0.227300D+02 -0.641425D+01
      6   0.403669D+01  0.408632D+01  0.522767D+01 -0.659841D+01 -0.311543D+01
               111           112           113           114           115 
      1  -0.179674D+02  0.115390D+02  0.496280D+01 -0.484051D+01 -0.324986D+02
      2   0.911419D+01 -0.333560D+01  0.136955D+01  0.142768D+01  0.170991D+02
      3   0.885322D+01 -0.820341D+01 -0.633235D+01  0.341283D+01  0.153995D+02
      4  -0.919151D+01  0.156999D+02  0.107165D+02 -0.837854D+01 -0.169774D+02
      5   0.190538D+02 -0.696442D+01 -0.757746D+01  0.450394D+01  0.290922D+02
      6   0.424376D+01 -0.397323D+01 -0.278680D+01  0.371505D+01  0.768236D+01
               116           117           118           119           120 
      1  -0.821938D+01  0.191978D+02  0.552131D+00 -0.520902D+00  0.256782D+01
      2   0.261000D+01 -0.138208D+02 -0.385445D+01  0.321773D+00  0.584678D-01
      3   0.560938D+01 -0.537695D+01  0.330232D+01  0.199129D+00 -0.262629D+01
      4  -0.136125D+02  0.103519D+02 -0.162404D+01  0.278838D+01  0.549093D+00
      5   0.710329D+01 -0.215537D+02  0.123027D+01 -0.283681D+00  0.558823D+01
      6   0.428750D+01 -0.662999D+01 -0.471675D+00 -0.146663D+00  0.855096D-01
               121           122           123           124           125 
      1   0.565258D+00 -0.513236D+01  0.426514D+01  0.843364D+00  0.215420D+01
      2   0.156322D+00  0.930734D+00  0.817196D+00 -0.640165D+00  0.218684D+01
      3  -0.721580D+00  0.420163D+01 -0.508234D+01 -0.203199D+00 -0.434103D+01
      4   0.277883D+01 -0.136340D+01  0.150861D+01  0.275758D+00  0.361652D+01
      5  -0.566431D+00  0.114966D+01 -0.243338D+01  0.529611D+01 -0.169700D+01
      6  -0.447159D-01 -0.230694D+01  0.595864D+01 -0.114110D+00  0.456075D+01
               126           127           128           129           130 
      1  -0.214804D+02 -0.694857D+00  0.584768D+01 -0.416104D+01  0.347966D+01
      2  -0.117159D+02  0.969003D+00 -0.750932D+01  0.366909D+01 -0.343353D+01
      3   0.331962D+02 -0.274146D+00  0.166163D+01  0.491945D+00 -0.461247D-01
      4  -0.292858D+01 -0.141748D+01  0.127447D+01 -0.251543D+01  0.290079D+01
      5   0.111045D+02 -0.150395D+01 -0.175572D-01  0.112366D+00 -0.638986D-01
      6  -0.145919D+00 -0.499709D+01  0.235912D+01 -0.288436D+01  0.743879D+00
               131           132           133           134           135 
      1  -0.192794D+02  0.800538D+01 -0.702123D+01  0.138501D+02 -0.154328D+02
      2   0.269114D+02 -0.109325D+02  0.439297D+01 -0.187498D+02  0.143054D+02
      3  -0.763204D+01  0.292711D+01  0.262826D+01  0.489967D+01  0.112740D+01
      4   0.105788D+02 -0.406433D+01 -0.497696D+01 -0.770007D+01  0.617670D+01
      5  -0.565430D+01  0.611534D+01  0.558861D+00  0.871805D+01 -0.108474D+02
      6  -0.994653D+01  0.119314D+02 -0.552933D+00  0.162147D+02 -0.158441D+02
               136           137           138           139           140 
      1   0.407816D+01  0.567615D+01  0.351392D+01  0.241264D+01 -0.271402D+02
      2  -0.301068D+01 -0.406033D+01 -0.145741D+01 -0.908509D-01  0.338312D+02
      3  -0.106748D+01 -0.161582D+01 -0.205651D+01 -0.232179D+01 -0.669106D+01
      4   0.443453D+01  0.623170D+01  0.474192D+01  0.823547D+01  0.228936D+02
      5   0.295393D+01  0.344256D+01  0.418989D+01  0.391494D+01  0.118833D+02
      6   0.466798D+01 -0.254206D+00 -0.602959D+00  0.385731D+01  0.270683D+02
               141           142           143           144           145 
      1  -0.134547D+02 -0.957838D+00 -0.212901D+02 -0.210459D+02 -0.232637D+01
      2   0.137046D+02  0.311367D+01  0.193801D+02  0.122397D+02 -0.125109D+01
      3  -0.249942D+00 -0.215583D+01  0.190999D+01  0.880628D+01  0.357746D+01
      4   0.117019D+02  0.956626D+01  0.174289D+02  0.135255D+02  0.892481D+00
      5   0.957419D+01  0.687090D+01  0.148430D+02  0.141783D+02 -0.307238D+01
      6   0.206347D+02  0.507777D+01  0.291629D+02  0.261403D+02 -0.103638D+01
               146           147           148           149           150 
      1   0.159114D+01 -0.591831D+01  0.258099D+01 -0.941490D+01  0.975665D+01
      2   0.861167D+00  0.107767D+01 -0.689855D+00 -0.820815D+00  0.675992D+01
      3  -0.245231D+01  0.484064D+01 -0.189113D+01  0.102357D+02 -0.165166D+02
      4   0.258515D+00  0.126013D+01  0.318111D+00  0.156950D+02 -0.880736D+01
      5  -0.463408D+00  0.381858D+01 -0.269637D+01 -0.686757D+01  0.107560D+02
      6   0.265382D+01 -0.160794D+01  0.171829D+01 -0.163332D+02  0.109157D+02
               151           152           153           154           155 
      1  -0.354045D+01  0.712904D+01 -0.102000D+02  0.277226D+02 -0.711720D+01
      2   0.120480D+01  0.451227D+01 -0.763572D+01 -0.198061D+02  0.385436D+01
      3   0.233565D+01 -0.116413D+02  0.178357D+02 -0.791647D+01  0.326283D+01
      4   0.884837D+00 -0.686981D+01  0.720052D+01 -0.209633D+02  0.141349D+02
      5   0.452673D+01  0.575297D+01 -0.857569D+01 -0.371190D+02  0.138018D+02
      6  -0.130259D+01  0.104328D+02 -0.916135D+01  0.119482D+02 -0.829145D+01
               156           157           158           159           160 
      1  -0.881472D+01 -0.697068D+01  0.101203D+01 -0.592542D-02 -0.615970D+01
      2   0.141209D+02  0.375037D+01 -0.511826D+00 -0.196955D+01  0.111253D+02
      3  -0.530621D+01  0.322031D+01 -0.500207D+00  0.197547D+01 -0.496555D+01
      4   0.115453D+02  0.135372D+02 -0.111606D+02 -0.100059D+02  0.823593D+01
      5   0.293039D+02  0.131324D+02 -0.114112D+02 -0.106190D+02  0.221183D+02
      6  -0.947415D+01 -0.789014D+01  0.832923D+01  0.981565D+01 -0.739337D+01
               161           162           163           164           165 
      1   0.282604D+00  0.286900D+01 -0.119382D+02 -0.129109D+02 -0.126303D+02
      2  -0.205272D+01 -0.109861D+02  0.586807D+01  0.908643D+01  0.179505D+01
      3   0.177011D+01  0.811705D+01  0.607015D+01  0.382451D+01  0.108352D+02
      4  -0.623848D+01 -0.856876D+01  0.158824D+01 -0.319084D+00  0.845459D+00
      5  -0.842352D+01 -0.216913D+02  0.661104D+01  0.494413D+01  0.184868D+01
      6   0.729212D+01  0.836380D+01  0.903682D+01  0.101008D+02  0.718377D+01
               166           167           168           169           170 
      1  -0.103502D+02 -0.166657D+02 -0.893671D+01 -0.663808D+01 -0.530259D+01
      2   0.777645D+01  0.123932D+02  0.263222D+01  0.868679D+00  0.914718D+00
      3   0.257375D+01  0.427253D+01  0.630449D+01  0.576940D+01  0.438787D+01
      4   0.153299D+01 -0.283418D+01 -0.361424D+01  0.135376D+01 -0.181948D+01
      5   0.664538D+01  0.566293D+00 -0.174715D+01  0.402676D+01  0.574854D-01
      6   0.657758D+01  0.129647D+02  0.109264D+02  0.389352D+01  0.769867D+01
               171           172           173           174           175 
      1  -0.814959D+01 -0.147624D+02 -0.245228D+02 -0.121893D+01 -0.157440D+02
      2   0.524644D+00  0.165224D+02  0.279637D+02  0.100758D+01  0.159029D+02
      3   0.762495D+01 -0.176000D+01 -0.344085D+01  0.211356D+00 -0.158850D+00
      4  -0.526469D+00  0.475219D+01  0.597898D+00  0.255037D+01  0.564436D+01
      5   0.962425D+00 -0.480795D+01 -0.161285D+01 -0.177862D+01 -0.202304D+01
      6   0.598884D+01  0.236443D+00 -0.348422D+01  0.524711D+01 -0.149193D+01
               176           177           178           179           180 
      1  -0.277794D+02 -0.566543D+00 -0.324586D+01 -0.221798D+01 -0.548731D+01
      2   0.380812D+02  0.200112D+01  0.141680D+01  0.541185D+01  0.372663D+01
      3  -0.103018D+02 -0.143457D+01  0.182906D+01 -0.319387D+01  0.176068D+01
      4  -0.762133D+01 -0.952817D+00  0.319188D+01 -0.368101D+01 -0.380582D+00
      5  -0.357056D+01 -0.172460D+01 -0.103098D+00 -0.202782D+01  0.158393D+01
      6  -0.267949D+01  0.501979D+01  0.259949D+01  0.551369D+01 -0.644266D+00
               181           182           183           184           185 
      1   0.435771D+02 -0.179929D+02 -0.777474D+01 -0.142312D+02  0.574008D+01
      2  -0.796240D+01 -0.285416D+01  0.147512D+01 -0.292539D+01  0.114423D+02
      3  -0.356147D+02  0.208471D+02  0.629962D+01  0.171566D+02 -0.171824D+02
      4  -0.494123D+02  0.345395D+02  0.751523D+01  0.286495D+02 -0.266854D+02
      5  -0.360620D+01  0.967765D+00  0.962450D+01  0.165219D+01 -0.330598D+01
      6   0.368738D+01 -0.160726D+01 -0.691495D+01 -0.179499D+01  0.261088D+01
               186           187           188           189           190 
      1   0.110605D+01 -0.115120D+02  0.260735D+01  0.587593D+01  0.377372D+01
      2   0.275454D+01  0.497147D+00  0.536824D+01 -0.255478D+01 -0.249675D+01
      3  -0.386060D+01  0.110148D+02 -0.797559D+01 -0.332116D+01 -0.127697D+01
      4  -0.642094D+01  0.157601D+02 -0.143228D+02 -0.943277D+01 -0.642690D+01
      5  -0.307767D+01  0.983190D+01 -0.546355D+01 -0.438615D+01  0.732123D+01
      6   0.360268D+01 -0.731175D+01  0.459281D+01  0.348498D+01 -0.324576D+01
               191           192           193           194           195 
      1  -0.414441D+01  0.466943D+01 -0.528688D+00 -0.227354D+01  0.261552D+01
      2   0.232079D+01 -0.473336D+01  0.134954D-01 -0.303229D+00 -0.442622D+01
      3   0.182362D+01  0.639330D-01  0.515192D+00  0.257677D+01  0.181070D+01
      4   0.438620D+01 -0.295500D+01  0.229980D+01  0.122025D+01  0.367131D+01
      5  -0.119051D+01  0.102083D+02  0.109353D+01  0.383466D+01  0.178322D+01
      6   0.506152D+00 -0.351553D+01  0.446044D+00 -0.188341D+01  0.486126D+01
               196           197           198           199           200 
      1   0.382000D+01  0.446238D+01 -0.981632D+01 -0.157804D+01 -0.728540D+00
      2  -0.612541D+01 -0.451227D+01 -0.169386D+02  0.156563D+01  0.576401D+00
      3   0.230541D+01  0.498827D-01  0.267550D+02  0.124149D-01  0.152139D+00
      4  -0.556681D+01  0.810956D+01 -0.855039D+01 -0.106416D+00  0.141033D+01
      5   0.151270D+02 -0.616772D+01  0.427110D+02  0.493357D-01 -0.484841D+00
      6  -0.725219D+01  0.976644D+01 -0.293810D+02 -0.681189D+00  0.205478D+00
               201           202           203           204           205 
      1   0.903764D+00 -0.157606D+01 -0.207574D+01  0.494214D+01  0.490437D+01
      2  -0.628861D+00 -0.215740D+01  0.113171D+01 -0.269081D+01 -0.241854D+01
      3  -0.274903D+00  0.373346D+01  0.944029D+00 -0.225133D+01 -0.248583D+01
      4  -0.714162D+00  0.781101D+00 -0.112596D+01  0.185609D+01 -0.541606D+00
      5   0.238916D+01 -0.658872D+00  0.965155D+00 -0.901350D+00  0.185992D+01
      6   0.469875D-02  0.969116D+00 -0.368974D+01  0.385098D+01  0.694458D+00
               206           207           208           209           210 
      1   0.595869D+01 -0.123612D+02  0.214275D+01  0.255565D+01 -0.585678D+01
      2  -0.430248D+01  0.779099D+00 -0.329604D+01 -0.140794D+01  0.231328D+01
      3  -0.165622D+01  0.115821D+02  0.115329D+01 -0.114770D+01  0.354351D+01
      4   0.198614D+01 -0.303302D+01  0.267869D+01  0.120080D+01 -0.151482D+01
      5  -0.193891D+01  0.424811D+01 -0.534976D+01 -0.170009D+01  0.405713D+01
      6   0.477325D+01 -0.700931D+01 -0.198456D+01  0.269152D+00  0.348785D+00
               211           212           213           214           215 
      1   0.247490D+01 -0.460304D+01  0.411170D+01 -0.241246D+01  0.451184D+01
      2  -0.407581D+01  0.684727D+00  0.140867D+01  0.361665D+01  0.227201D+00
      3   0.160092D+01  0.391832D+01 -0.552037D+01 -0.120418D+01 -0.473904D+01
      4  -0.183474D+01  0.190821D+01 -0.275993D+01 -0.369472D+01 -0.388212D+01
      5  -0.511064D+01 -0.372002D+01  0.673858D+01  0.769522D+01  0.569862D+01
      6   0.115600D+01 -0.343418D+01  0.467813D+01  0.244732D+01  0.620697D+01
               216           217           218           219           220 
      1  -0.183801D+02  0.160188D+02 -0.717267D+01 -0.763205D+01 -0.176462D+02
      2  -0.748962D+01 -0.117060D+02  0.423322D+01  0.591347D+01  0.114308D+02
      3   0.258697D+02 -0.431280D+01  0.293945D+01  0.171858D+01  0.621539D+01
      4   0.439692D+01 -0.805361D+01  0.322415D+01  0.525625D+01  0.118231D+02
      5  -0.210433D+02 -0.946217D+01  0.607385D+01  0.118598D+02  0.149119D+02
      6  -0.641710D+01  0.282705D+01 -0.446429D+00 -0.843123D+00 -0.407038D+01
               221           222           223           224           225 
      1   0.116347D+01  0.469764D+01 -0.204992D+02 -0.416044D+00  0.883795D+01
      2  -0.174851D+01 -0.921337D+01  0.166593D+02 -0.502364D+01 -0.222727D+02
      3   0.585039D+00  0.451573D+01  0.383986D+01  0.543969D+01  0.134347D+02
      4  -0.138247D+02 -0.200241D+02  0.473087D+01 -0.182328D+02 -0.165630D+02
      5  -0.188688D+02 -0.244497D+02  0.324908D+02 -0.151741D+02 -0.578096D+02
      6   0.580117D+01  0.865833D+01 -0.238980D+01  0.699583D+01  0.645810D+01
               226           227           228           229           230 
      1   0.100698D+03  0.179295D+01  0.233406D+02 -0.552106D+01  0.103193D+02
      2  -0.480319D+02  0.255011D+00 -0.102690D+02  0.395561D+01 -0.334099D+01
      3  -0.526661D+02 -0.204796D+01 -0.130716D+02  0.156545D+01 -0.697830D+01
      4   0.629284D+01  0.125924D+02  0.276861D+01  0.149953D+02  0.327798D+01
      5   0.195603D+02  0.192122D+01  0.162315D+02  0.104533D+01  0.209649D+01
      6   0.320499D+01 -0.372602D-01  0.165051D+01  0.200069D+00 -0.481100D+00
               231           232           233           234           235 
      1   0.541121D+00  0.461131D+02  0.261397D+01  0.197586D+02  0.212907D+01
      2  -0.925355D+00 -0.218169D+02 -0.130012D+01 -0.110090D+02  0.733062D+00
      3   0.384235D+00 -0.242962D+02 -0.131385D+01 -0.874954D+01 -0.286213D+01
      4   0.253060D+01  0.502221D+01  0.670063D+01  0.114807D-01  0.504118D+01
      5  -0.270936D+01  0.224750D+02 -0.604755D+00  0.165101D+02  0.267059D+01
      6   0.203072D+01  0.240179D+01  0.166169D+01  0.258397D+01 -0.241814D+01
               236           237           238           239           240 
      1   0.994559D+01  0.161422D+00  0.192033D+02 -0.103784D+02  0.332529D+01
      2  -0.642638D+01  0.120937D+00 -0.553706D+01  0.233242D+02 -0.494916D+01
      3  -0.351921D+01 -0.282359D+00 -0.136663D+02 -0.129458D+02  0.162387D+01
      4   0.102090D+00  0.140299D+01  0.201586D+02  0.605043D+02 -0.208518D+02
      5   0.623832D+00 -0.390704D-01 -0.818470D+01 -0.191570D+02  0.136286D+02
      6   0.130984D+01 -0.146370D+01 -0.422691D+01 -0.170211D+02  0.108664D+02
               241           242           243 
      1  -0.438110D+01  0.395751D+01  0.539496D+00
      2   0.266984D+01 -0.317849D+01 -0.956283D+00
      3   0.171125D+01 -0.779016D+00  0.416787D+00
      4  -0.369463D+01 -0.157901D+02  0.118686D+02
      5   0.120551D+02  0.120616D+02 -0.176463D+02
      6   0.192954D+01  0.979738D+01 -0.626390D+01
 Leave Link  716 at Fri Aug 13 12:19:42 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169207D+03  0.548067D+01 -0.279089D+01
      2   0.548067D+01  0.108578D+03 -0.282406D+01
      3  -0.279089D+01 -0.282406D+01  0.113105D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.471711D+01 -0.667885D+01 -0.673496D+01
      2   0.310205D+02 -0.109308D+02 -0.708663D+01
      3  -0.234325D+02  0.393769D+02  0.146638D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.772432D+02  0.257531D+02 -0.507693D+00
      2  -0.645442D+02  0.369880D+00  0.312676D+01
      3  -0.126991D+02 -0.261230D+02 -0.261907D+01
      4   0.341956D+02 -0.945670D+02 -0.329780D+02
      5  -0.219551D+02 -0.324050D+02 -0.133291D+02
      6  -0.148332D+02 -0.254395D+02  0.947909D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.345137D+01 -0.439991D+01 -0.427724D+01 -0.476911D+01 -0.162757D+01
      2  -0.439991D+01 -0.174663D+01  0.879245D+00 -0.162757D+01  0.155542D+01
      3  -0.427724D+01  0.879245D+00  0.153188D+01  0.111060D+01 -0.375431D+01
                 6             7             8             9            10 
      1   0.111060D+01 -0.344220D+01  0.113272D+01  0.137672D+01 -0.212460D+02
      2  -0.375431D+01  0.113272D+01 -0.325186D+01  0.595956D+00  0.692376D+01
      3   0.805711D+00  0.137672D+01  0.595956D+00  0.301219D+01  0.377329D+01
                11            12            13            14            15 
      1   0.692376D+01  0.377329D+01  0.103237D+02 -0.520080D+00 -0.134793D+01
      2   0.159780D+01 -0.650203D+00 -0.520080D+00  0.116182D+01  0.298137D+01
      3  -0.650203D+00 -0.162255D+01 -0.134793D+01  0.298137D+01  0.165485D-01
                16            17            18            19            20 
      1   0.134237D+02 -0.182295D+01 -0.237632D+01  0.465557D+02  0.810461D-01
      2  -0.182295D+01  0.378708D+01  0.485939D+00  0.810461D-01  0.394954D+01
      3  -0.237632D+01  0.485939D+00 -0.435963D+01 -0.876860D+00  0.111995D+01
                21            22            23            24            25 
      1  -0.876860D+00 -0.380463D+01  0.933725D+01  0.294902D+01 -0.337066D+01
      2   0.111995D+01  0.933725D+01  0.140884D+01 -0.617599D+00  0.252271D+01
      3   0.567230D+00  0.294902D+01 -0.617599D+00 -0.273245D+01  0.119718D+01
                26            27            28            29            30 
      1   0.252271D+01  0.119718D+01 -0.642786D+02 -0.357508D+01  0.358443D+00
      2  -0.100576D+01 -0.243180D+01 -0.357508D+01 -0.364132D+01 -0.741906D+00
      3  -0.243180D+01  0.476289D+01  0.358443D+00 -0.741906D+00 -0.159788D+01
                31            32            33            34            35 
      1  -0.111427D+02 -0.616533D+01 -0.163895D+01  0.908507D+01 -0.343250D+00
      2  -0.616533D+01 -0.328276D+01 -0.393612D+00 -0.343250D+00  0.770367D+00
      3  -0.163895D+01 -0.393612D+00  0.142367D+01 -0.218547D+01  0.176771D+01
                36            37            38            39            40 
      1  -0.218547D+01  0.596545D+02  0.333835D+01  0.287373D+01  0.128006D+02
      2   0.176771D+01  0.333835D+01  0.216904D+01  0.913260D+00  0.501030D+01
      3  -0.322679D+01  0.287373D+01  0.913260D+00  0.118444D+01  0.133045D+01
                41            42            43            44            45 
      1   0.501030D+01  0.133045D+01 -0.116882D+02 -0.301802D+00  0.379479D+01
      2   0.264004D+01 -0.492637D+00 -0.301802D+00 -0.162836D+01 -0.195819D+01
      3  -0.492637D+00 -0.190783D+01  0.379479D+01 -0.195819D+01  0.257741D+01
                46            47            48            49            50 
      1  -0.209763D+02 -0.890158D+00 -0.372125D+01  0.543066D+01  0.254386D+00
      2  -0.890158D+00  0.910965D+00 -0.243402D-01  0.254386D+00  0.727876D+00
      3  -0.372125D+01 -0.243402D-01  0.730748D+00  0.268427D+01 -0.958167D+00
                51            52            53            54            55 
      1   0.268427D+01 -0.252252D+02  0.780156D+00 -0.812764D+01  0.562125D+01
      2  -0.958167D+00  0.780156D+00  0.176238D+00  0.103513D+01 -0.803020D+00
      3   0.167886D+01 -0.812764D+01  0.103513D+01 -0.573221D+01  0.296214D+01
                56            57            58            59            60 
      1  -0.803020D+00  0.296214D+01 -0.836634D+01  0.191963D+01 -0.271117D+01
      2   0.387732D+00 -0.390142D+00  0.191963D+01 -0.205249D+01  0.293759D+01
      3  -0.390142D+00  0.106176D+01 -0.271117D+01  0.293759D+01 -0.172813D+01
                61            62            63            64            65 
      1   0.245463D+02 -0.458500D+00  0.932744D+01  0.664266D+01 -0.550289D+01
      2  -0.458500D+00  0.152677D+01 -0.143729D+01 -0.550289D+01 -0.136904D+01
      3   0.932744D+01 -0.143729D+01  0.108254D+02 -0.198415D+01  0.983041D+00
                66            67            68            69            70 
      1  -0.198415D+01 -0.559595D+01 -0.118531D+01  0.121903D+01 -0.490974D+01
      2   0.983041D+00 -0.118531D+01 -0.632166D+00 -0.252097D+01  0.148513D+01
      3   0.127132D+01  0.121903D+01 -0.252097D+01  0.101169D+01  0.167013D+01
                71            72            73            74            75 
      1   0.148513D+01  0.167013D+01  0.790421D+00  0.916490D+00 -0.110591D+01
      2  -0.288050D+01  0.144398D+00  0.916490D+00 -0.361364D+01 -0.181838D+01
      3   0.144398D+00  0.632970D+01 -0.110591D+01 -0.181838D+01  0.312851D+01
                76            77            78            79            80 
      1   0.155083D+01 -0.457877D+01 -0.272516D+01 -0.182648D+01 -0.260495D+01
      2  -0.457877D+01 -0.287566D+01 -0.112901D+01 -0.260495D+01 -0.149933D+01
      3  -0.272516D+01 -0.112901D+01 -0.634234D+00  0.446268D+01 -0.272003D+00
                81            82            83            84            85 
      1   0.446268D+01 -0.856906D+01 -0.694551D+01 -0.106291D+01 -0.804470D+01
      2  -0.272003D+00 -0.694551D+01 -0.199606D+01  0.935687D+00 -0.387882D+01
      3   0.212984D+01 -0.106291D+01  0.935687D+00 -0.572641D+00  0.573011D+00
                86            87            88            89            90 
      1  -0.387882D+01  0.573011D+00  0.535101D+01  0.206739D+01 -0.266250D+00
      2   0.121701D+01  0.122816D+01  0.206739D+01  0.219794D+01  0.459465D+01
      3   0.122816D+01  0.362988D+01 -0.266250D+00  0.459465D+01 -0.506984D+00
                91            92            93            94            95 
      1  -0.163435D+01  0.141826D+01 -0.436138D+01  0.276007D+01 -0.356476D+00
      2   0.141826D+01  0.979882D+00 -0.103787D+01 -0.356476D+00 -0.433444D+01
      3  -0.436138D+01 -0.103787D+01 -0.124440D+01 -0.929818D+00  0.344958D+01
                96            97            98            99           100 
      1  -0.929818D+00 -0.741658D+01 -0.105123D+01 -0.322133D+01 -0.476458D+01
      2   0.344958D+01 -0.105123D+01  0.278130D+01  0.113006D+01 -0.196070D+00
      3   0.163369D+01 -0.322133D+01  0.113006D+01  0.415460D+01 -0.263204D+01
               101           102           103           104           105 
      1  -0.196070D+00 -0.263204D+01  0.665920D+00 -0.549453D+00  0.676114D+00
      2  -0.417767D+00  0.120756D+00 -0.549453D+00  0.518365D+00 -0.718616D+00
      3   0.120756D+00 -0.243880D+01  0.676114D+00 -0.718616D+00  0.615355D+00
               106           107           108           109           110 
      1  -0.413240D+01  0.274401D+00 -0.407780D+01 -0.762900D+01 -0.200480D+01
      2   0.274401D+00 -0.136849D+01 -0.961287D-01 -0.200480D+01 -0.107523D+01
      3  -0.407780D+01 -0.961287D-01 -0.520024D+01  0.263169D+01  0.781839D+00
               111           112           113           114           115 
      1   0.263169D+01 -0.167432D+01 -0.144261D+01  0.894690D+00  0.493848D+01
      2   0.781839D+00 -0.144261D+01 -0.116321D+01  0.902375D+00  0.148169D+01
      3  -0.214863D+01  0.894690D+00  0.902375D+00 -0.590389D+00 -0.349775D+01
               116           117           118           119           120 
      1   0.148169D+01 -0.349775D+01  0.565150D+00  0.517658D+00 -0.993323D+00
      2   0.158224D+01 -0.857189D+00  0.517658D+00 -0.334849D+00 -0.203861D+00
      3  -0.857189D+00  0.268052D+01 -0.993323D+00 -0.203861D+00  0.332643D+00
               121           122           123           124           125 
      1   0.149712D+01 -0.694820D+00 -0.107584D+00 -0.961297D+00 -0.291182D-01
      2  -0.694820D+00  0.686451D+00 -0.105056D+01 -0.291182D-01 -0.139222D+01
      3  -0.107584D+00 -0.105056D+01  0.134051D+01 -0.203688D+00  0.929549D+00
               126           127           128           129           130 
      1  -0.203688D+00  0.796020D+00 -0.193935D+00  0.741870D+00  0.161512D+00
      2   0.929549D+00 -0.193935D+00  0.115371D+01 -0.526512D+00  0.407461D+00
      3  -0.688200D+01  0.741870D+00 -0.526512D+00  0.628406D+00 -0.249073D+00
               131           132           133           134           135 
      1   0.407461D+00 -0.249073D+00  0.130717D+01 -0.265124D+00  0.179257D+00
      2  -0.436836D+01  0.182576D+01 -0.265124D+00  0.326028D+01 -0.278660D+01
      3   0.182576D+01 -0.193571D+01  0.179257D+00 -0.278660D+01  0.349781D+01
               136           137           138           139           140 
      1   0.108963D+01 -0.510343D+00 -0.705400D+00  0.905528D+00 -0.701754D+00
      2  -0.510343D+00  0.304123D+00 -0.307914D-01 -0.701754D+00 -0.663431D+01
      3  -0.705400D+00 -0.307914D-01  0.766038D-01 -0.473938D+00 -0.331442D+01
               141           142           143           144           145 
      1  -0.473938D+00 -0.226399D+01 -0.113793D+01 -0.655573D+00  0.424156D+00
      2  -0.331442D+01 -0.113793D+01 -0.497396D+01 -0.414404D+01 -0.400715D+00
      3  -0.263023D+01 -0.655573D+00 -0.414404D+01 -0.402755D+01  0.104848D+01
               146           147           148           149           150 
      1  -0.400715D+00  0.104848D+01 -0.680893D+00  0.634545D+00 -0.107994D+00
      2   0.642534D+00 -0.315506D+00  0.634545D+00 -0.426380D+01  0.232538D+01
      3  -0.315506D+00  0.353028D+00 -0.107994D+00  0.232538D+01 -0.330861D+01
               151           152           153           154           155 
      1   0.797028D+00 -0.243813D+00  0.826702D-01 -0.655121D+01  0.245644D+01
      2  -0.243813D+00  0.196753D+01 -0.202265D+01  0.245644D+01 -0.164573D+01
      3   0.826702D-01 -0.202265D+01  0.291486D+01  0.366697D+01 -0.139435D+01
               156           157           158           159           160 
      1   0.366697D+01  0.205789D+01 -0.155681D+01 -0.126869D+01  0.194694D+01
      2  -0.139435D+01 -0.155681D+01  0.162414D+01  0.170083D+01 -0.970703D+00
      3  -0.352913D+01 -0.126869D+01  0.170083D+01  0.145901D+01 -0.251180D+01
               161           162           163           164           165 
      1  -0.970703D+00 -0.251180D+01  0.346998D+01  0.201909D+01  0.141732D+01
      2   0.104920D+01  0.111123D+01  0.201909D+01  0.229221D+01  0.107335D+01
      3   0.111123D+01  0.275245D+01  0.141732D+01  0.107335D+01  0.196018D+01
               166           167           168           169           170 
      1   0.189183D+01  0.160770D+01  0.542516D+00  0.595130D+00  0.433964D+00
      2   0.160770D+01  0.302795D+01  0.189151D+01  0.433964D+00  0.102245D+01
      3   0.542516D+00  0.189151D+01  0.176478D+01  0.872342D+00  0.977524D+00
               171           172           173           174           175 
      1   0.872342D+00  0.265440D+01  0.226499D+01  0.417720D+00  0.167865D+01
      2   0.977524D+00  0.226499D+01  0.407003D+01 -0.167281D+00  0.186506D+01
      3   0.127273D+01  0.417720D+00 -0.167281D+00  0.856388D+00 -0.392714D-02
               176           177           178           179           180 
      1   0.186506D+01 -0.392714D-02  0.812603D+00 -0.847165D-01  0.380365D+00
      2   0.545358D+01  0.261449D+00 -0.847165D-01  0.106295D+01  0.863605D+00
      3   0.261449D+00  0.643418D+00  0.380365D+00  0.863605D+00 -0.232431D+00
               181           182           183           184           185 
      1  -0.751357D+01  0.439781D+01  0.119851D+01  0.211471D+01 -0.270289D+01
      2   0.439781D+01 -0.325029D+01 -0.532579D+00 -0.270289D+01  0.321442D+01
      3   0.119851D+01 -0.532579D+00 -0.140866D+01 -0.658763D+00  0.798927D+00
               186           187           188           189           190 
      1  -0.658763D+00  0.294880D+01 -0.148852D+01 -0.151448D+01 -0.122900D+01
      2   0.798927D+00 -0.148852D+01  0.194142D+01  0.870520D+00  0.762131D+00
      3   0.449407D+00 -0.151448D+01  0.870520D+00  0.618744D+00 -0.103855D+01
               191           192           193           194           195 
      1   0.762131D+00 -0.103855D+01  0.223887D+00  0.480785D-01 -0.107580D+00
      2  -0.392599D-01  0.526395D-01  0.480785D-01 -0.178789D+00 -0.768890D+00
      3   0.526395D-01 -0.977659D+00 -0.107580D+00 -0.768890D+00 -0.340842D+00
               196           197           198           199           200 
      1  -0.130625D+01  0.404267D+00 -0.190340D+01 -0.164085D+01 -0.486449D+00
      2   0.404267D+00 -0.160179D+01  0.119708D+01 -0.486449D+00  0.460201D-01
      3  -0.190340D+01  0.119708D+01 -0.830116D+01  0.914299D+00 -0.636763D-01
               201           202           203           204           205 
      1   0.914299D+00 -0.114143D+01  0.901603D+00  0.314125D+00  0.169896D+01
      2  -0.636763D-01  0.901603D+00 -0.719601D+00  0.110472D+01  0.423519D+00
      3  -0.283434D-02  0.314125D+00  0.110472D+01 -0.127659D+01 -0.369895D+00
               206           207           208           209           210 
      1   0.423519D+00 -0.369895D+00  0.149380D+01  0.691665D+00 -0.124465D+01
      2   0.138128D+01 -0.123636D+01  0.691665D+00  0.410080D-01 -0.501538D-01
      3  -0.123636D+01  0.464914D+01 -0.124465D+01 -0.501538D-01 -0.265036D+00
               211           212           213           214           215 
      1   0.929527D+00 -0.182582D+00 -0.737672D+00 -0.179861D+01 -0.583794D+00
      2  -0.182582D+00  0.647432D+00 -0.100244D+01 -0.583794D+00 -0.137863D+01
      3  -0.737672D+00 -0.100244D+01  0.187662D+01  0.100417D+01  0.178104D+01
               216           217           218           219           220 
      1   0.100417D+01  0.247438D+01 -0.885994D+00 -0.696181D+00 -0.227338D+01
      2   0.178104D+01 -0.885994D+00  0.185404D+00  0.502486D+00  0.106160D+01
      3  -0.641257D+01 -0.696181D+00  0.502486D+00  0.820279D+00  0.133968D+01
               221           222           223           224           225 
      1   0.106160D+01  0.133968D+01 -0.312343D+01  0.346669D+00  0.316605D+01
      2  -0.150698D+01 -0.225274D+01  0.346669D+00 -0.213934D+01 -0.175413D+01
      3  -0.225274D+01 -0.278544D+01  0.316605D+01 -0.175413D+01 -0.668533D+01
               226           227           228           229           230 
      1   0.952048D+01  0.225575D+00  0.232710D+01 -0.540461D+00  0.129567D+01
      2   0.225575D+00  0.102700D+01  0.201312D+00  0.129567D+01  0.388883D+00
      3   0.232710D+01  0.201312D+00  0.155896D+01  0.147923D+00  0.162403D+00
               231           232           233           234           235 
      1   0.147923D+00  0.482568D+01  0.414003D+00  0.215580D+01  0.828737D+00
      2   0.162403D+00  0.414003D+00  0.613111D+00 -0.825270D-01  0.781609D+00
      3  -0.290300D+00  0.215580D+01 -0.825270D-01  0.163052D+01  0.368292D+00
               236           237           238           239           240 
      1   0.781609D+00  0.368292D+00  0.304149D+01  0.179999D+01 -0.713172D+00
      2  -0.627197D+00  0.383978D+00  0.179999D+01  0.774034D+01 -0.259610D+01
      3   0.383978D+00 -0.254152D+00 -0.713172D+00 -0.259610D+01  0.181161D+01
               241           242           243 
      1  -0.811846D+00 -0.380234D+00  0.124182D+01
      2  -0.380234D+00 -0.199991D+01  0.159451D+01
      3   0.124182D+01  0.159451D+01 -0.224190D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.583030D+01 -0.443502D+01  0.118446D+01 -0.378218D+01  0.669434D+01
      2   0.606610D+01  0.777319D+01  0.912702D+01  0.644249D+01  0.117971D+02
      3  -0.796555D+01 -0.916163D+01 -0.156868D+01 -0.420382D+01  0.121088D+01
                 6             7             8             9            10 
      1  -0.131397D+02  0.231164D+00 -0.593421D+01  0.734497D+00 -0.205355D+01
      2  -0.384255D+01  0.200964D+01 -0.254136D+01 -0.808457D+01 -0.192180D+02
      3  -0.615746D+01 -0.364851D+00 -0.601080D+01  0.190873D+01  0.159457D+02
                11            12            13            14            15 
      1   0.249091D+01  0.110992D+01  0.447959D+01 -0.503101D+01 -0.383034D+01
      2   0.151483D+01  0.773820D+01  0.297970D+01 -0.948938D+01 -0.752129D+00
      3   0.470051D+01  0.262435D+01  0.156499D+02  0.690096D+01  0.650755D+01
                16            17            18            19            20 
      1   0.200738D+01  0.704652D+01  0.333855D+01  0.100491D-01 -0.161162D+01
      2   0.702029D+01 -0.105041D+01  0.969195D+01  0.262569D+02  0.943938D+00
      3  -0.381956D+01  0.703981D+01 -0.185905D+00 -0.214708D+02 -0.719089D+01
                21            22            23            24            25 
      1  -0.111434D+01 -0.811796D+01 -0.269728D+01 -0.315312D+01 -0.291311D+01
      2   0.250664D+01 -0.197969D+01  0.676014D+01  0.463949D+01 -0.148591D+02
      3  -0.531916D+00  0.202872D+01 -0.675595D+01 -0.200586D+01 -0.256904D+00
                26            27            28            29            30 
      1   0.200936D+01  0.508787D+01  0.398546D+01 -0.322450D+00  0.161605D+00
      2   0.329147D+01 -0.292485D+01 -0.363672D+02 -0.411766D+01 -0.316761D+01
      3  -0.287117D+01 -0.185428D+01  0.185321D+02  0.739209D+01  0.126247D+01
                31            32            33            34            35 
      1   0.361512D+01  0.258094D+01 -0.252714D+01  0.220200D+01  0.199933D+00
      2  -0.121857D+02 -0.379038D+01 -0.119961D+01 -0.133562D+02 -0.151656D+01
      3   0.332084D+02  0.671594D+01  0.178325D+00  0.258842D+01  0.790155D+00
                36            37            38            39            40 
      1  -0.422965D+01 -0.293960D+01 -0.919045D+00 -0.718237D+00 -0.747833D+01
      2  -0.135053D+01  0.439765D+02  0.352362D+01  0.124784D+02  0.140616D+02
      3  -0.159932D-01 -0.150279D+02 -0.116486D+02 -0.170424D+01 -0.888318D+01
                41            42            43            44            45 
      1  -0.299886D+00 -0.484858D+01  0.149901D+01  0.981405D-01 -0.857400D+00
      2   0.316473D+01 -0.176125D+01 -0.127479D+02 -0.372857D+01  0.631863D+01
      3  -0.628938D+01  0.781998D+00 -0.121458D+01 -0.107735D+01  0.152415D+01
                46            47            48            49            50 
      1   0.171186D+00  0.241391D+01  0.250905D+01 -0.530713D+01  0.403755D+01
      2  -0.136738D+02 -0.380476D+01 -0.357029D+01  0.485432D+01 -0.262329D+01
      3   0.387270D+00  0.122938D+02  0.552722D+01  0.251488D+02  0.124964D+01
                51            52            53            54            55 
      1  -0.675678D+01  0.253472D+01 -0.385687D+01 -0.258493D+01  0.117816D+01
      2   0.705379D+01 -0.481666D+02  0.539076D+00 -0.272778D+02  0.354150D+01
      3   0.206162D+01  0.536744D+01  0.968500D+01 -0.162038D+01  0.702638D+00
                56            57            58            59            60 
      1  -0.753096D+00 -0.543733D+00 -0.197401D+00 -0.292110D+01 -0.181027D+01
      2  -0.733564D+00  0.703307D+01 -0.823041D+01  0.863782D+01 -0.905898D+01
      3  -0.760160D+01 -0.238243D+00 -0.715166D+01  0.678781D+01 -0.780578D+01
                61            62            63            64            65 
      1  -0.166314D+01  0.880666D+01  0.608022D+00  0.846347D+01 -0.174162D+01
      2   0.283257D+02 -0.434454D+01  0.432694D+02  0.873753D+01 -0.677930D+01
      3  -0.397732D+01 -0.133149D+02  0.327767D+01 -0.969607D+01 -0.200339D+02
                66            67            68            69            70 
      1  -0.394679D+01 -0.210963D+01  0.762224D+01 -0.186966D+01 -0.678421D+01
      2  -0.220833D+01 -0.617975D+01  0.530627D+01 -0.151995D+01 -0.939991D+01
      3  -0.168005D+01 -0.102506D+02 -0.642328D+01 -0.419140D+01 -0.889479D-01
                71            72            73            74            75 
      1   0.495622D+01 -0.155558D+02 -0.480444D+00 -0.191030D+01  0.371074D+01
      2   0.799404D+00 -0.149251D+02  0.485581D+01  0.803006D+01 -0.997314D+01
      3  -0.446557D+01  0.371145D+01  0.523773D+01 -0.211561D+02 -0.758877D+01
                76            77            78            79            80 
      1  -0.184505D+01 -0.479729D+00 -0.263266D+01  0.542335D+01  0.207203D+01
      2   0.108737D+02  0.263674D+01  0.662827D+00 -0.226567D+02 -0.159141D+01
      3  -0.146039D+02 -0.498482D+01 -0.234151D+01 -0.901477D+01 -0.144713D+01
                81            82            83            84            85 
      1   0.216799D+01  0.197014D+01  0.450235D+01 -0.208224D+01  0.587673D+01
      2  -0.543988D+01 -0.499666D+01 -0.660315D+01  0.258086D+01 -0.875947D+01
      3  -0.510040D+01 -0.663377D+01  0.771851D+01  0.267421D+01  0.196115D+02
                86            87            88            89            90 
      1   0.460045D+01  0.672267D+01 -0.241217D+01  0.156337D+02 -0.331791D+01
      2  -0.483994D+01 -0.563616D+01  0.133505D+00 -0.635123D+01  0.131091D+01
      3   0.819811D+01 -0.488884D-01  0.349288D+01 -0.395062D+00  0.967211D+01
                91            92            93            94            95 
      1   0.689078D+00 -0.231253D+01  0.983406D+00  0.564870D+01  0.276535D+01
      2  -0.191275D+02 -0.256853D+01 -0.473583D+01 -0.319035D+01  0.147714D+02
      3  -0.727301D+01 -0.110319D+02  0.216681D+01  0.121981D+02  0.204648D+02
                96            97            98            99           100 
      1  -0.833092D+01  0.457328D+01 -0.413915D+00 -0.393922D+01 -0.212401D+01
      2   0.824495D+01 -0.230978D+02  0.376636D+01  0.151887D+02  0.597253D+01
      3  -0.199376D+02  0.420374D+01 -0.107380D+02 -0.761431D+01  0.357491D+01
               101           102           103           104           105 
      1   0.107227D+01 -0.215097D+01  0.729211D+00 -0.122126D+01  0.516103D-01
      2  -0.792985D+00  0.887380D+01 -0.207437D+01  0.219052D+01 -0.199637D+01
      3  -0.241934D+01  0.290324D+01 -0.460482D+00  0.294003D+01 -0.296815D+01
               106           107           108           109           110 
      1  -0.353903D+01  0.289487D+01 -0.453454D+01  0.287361D+01 -0.104450D+00
      2   0.966444D+01  0.928296D-01  0.166650D+02 -0.101513D+02 -0.307272D+01
      3   0.477484D+01 -0.604550D+01  0.343273D+01  0.107639D+01 -0.430244D+01
               111           112           113           114           115 
      1  -0.268901D+01  0.145114D+01  0.633199D+00 -0.165125D+01 -0.326369D+01
      2   0.104233D+02 -0.360828D+01 -0.348210D+01  0.268155D+01  0.114477D+02
      3   0.109929D+00 -0.778885D+00 -0.277155D+01  0.222308D+01  0.513985D+00
               116           117           118           119           120 
      1   0.708307D+00  0.320981D+01 -0.116926D+01  0.177334D+00  0.153197D+00
      2   0.293905D+01 -0.115914D+02  0.296461D+01  0.688887D+00  0.103061D+00
      3   0.558218D+01  0.550976D+00  0.306398D+00 -0.105955D+01  0.444177D+00
               121           122           123           124           125 
      1  -0.106062D+01 -0.194859D+01  0.540307D+00 -0.553554D+00  0.418908D+01
      2   0.124777D+01  0.117065D+00 -0.162156D+01 -0.382469D+01 -0.875447D+00
      3   0.218845D+01  0.489616D+00 -0.498434D+00  0.516964D+00 -0.954930D+00
               126           127           128           129           130 
      1  -0.384516D+01  0.222542D+01 -0.144972D+01  0.226196D+01 -0.109765D+01
      2   0.653698D+01 -0.119398D+01  0.115666D+01 -0.986667D-02  0.155729D+01
      3   0.111652D+01 -0.256526D+01  0.115504D+01 -0.288799D+01  0.224727D+01
               131           132           133           134           135 
      1   0.501429D+01 -0.671476D+01  0.877978D+00 -0.564013D+01  0.112286D+02
      2  -0.293456D+01  0.305369D+01 -0.177219D+01  0.467062D+01 -0.586485D+01
      3  -0.868467D+01  0.409806D+01 -0.475530D+01  0.644787D+01 -0.625340D+01
               136           137           138           139           140 
      1  -0.162327D+01 -0.520185D+00  0.304073D+00 -0.592055D+00 -0.250065D+01
      2   0.195235D+01 -0.164198D+00  0.295513D+00  0.130889D+00  0.534149D+01
      3  -0.152304D+01  0.601878D+00  0.141082D+01  0.172673D+01 -0.114418D+02
               141           142           143           144           145 
      1  -0.624199D+01  0.106761D-01 -0.444375D+01 -0.758395D+01 -0.154664D+01
      2   0.452439D+01 -0.227159D+01  0.650956D+01  0.660060D+01 -0.415073D+01
      3  -0.538679D+01  0.264332D+01 -0.758026D+01 -0.713292D+01 -0.735383D+00
               146           147           148           149           150 
      1   0.235385D+01 -0.710696D+00  0.208262D+01 -0.130420D+02  0.418443D+01
      2   0.183995D+01 -0.188735D+01  0.353664D+01 -0.662528D+01  0.689344D+01
      3   0.392142D+00 -0.277657D-01  0.282282D+01 -0.704994D+01  0.379442D+01
               151           152           153           154           155 
      1  -0.742772D+00  0.676371D+01 -0.502991D+01  0.212877D+01 -0.319001D+01
      2  -0.351541D+01  0.483181D+01 -0.580813D+01  0.503272D+01 -0.154247D+01
      3  -0.681316D+00  0.304696D+01 -0.342913D+01  0.476382D+00 -0.381534D+01
               156           157           158           159           160 
      1   0.722414D+00 -0.196710D+01  0.200337D+01  0.799892D+00 -0.575900D+00
      2   0.341216D+01 -0.263251D+01 -0.105408D+01 -0.135029D+01 -0.195543D+01
      3  -0.667213D+00 -0.602007D+00  0.296475D+01  0.254991D+01  0.253814D+00
               161           162           163           164           165 
      1   0.279853D+01 -0.360329D+00  0.280928D+01  0.449262D+01 -0.711527D+00
      2  -0.578399D-01 -0.147766D+01 -0.127082D+02 -0.692628D+01 -0.521465D+01
      3   0.213496D+01  0.461622D+00  0.872962D+01  0.460796D+01  0.317671D+01
               166           167           168           169           170 
      1   0.284059D+01  0.449706D+01  0.351494D+00  0.755025D-01  0.266556D+01
      2  -0.657603D+01 -0.773021D+01 -0.377961D+01 -0.495338D+01 -0.319300D+01
      3   0.670472D+01  0.626274D+01  0.404597D+01  0.155722D+01  0.193496D+01
               171           172           173           174           175 
      1   0.721475D+00 -0.249424D+01 -0.183351D+01 -0.318651D+01 -0.138758D+01
      2  -0.413093D+01  0.130557D+01  0.198337D+01 -0.660140D-03  0.146320D+01
      3   0.296184D+01  0.155518D+02  0.140614D+02  0.781353D+00  0.111997D+02
               176           177           178           179           180 
      1  -0.374725D+01 -0.348280D+01 -0.989039D+00 -0.107197D+01 -0.156098D-01
      2   0.109504D+01 -0.537153D+00 -0.131741D+01 -0.177729D+01  0.795197D+00
      3   0.181098D+02  0.753625D+00  0.165888D+01  0.237331D+01  0.311380D+01
               181           182           183           184           185 
      1  -0.520765D+01  0.278436D+01  0.470304D+01  0.322965D+01 -0.351409D+01
      2  -0.688142D+01  0.375259D+01  0.681418D+01  0.303282D+01 -0.367582D+01
      3  -0.347594D+01 -0.251213D+01  0.141142D+01  0.183095D+01  0.390437D+01
               186           187           188           189           190 
      1  -0.289013D+01  0.370942D+01 -0.137870D+01 -0.211067D+01  0.149348D+01
      2  -0.252113D+01  0.444525D+01 -0.266229D+01 -0.295468D+01  0.166024D+01
      3   0.764809D+00  0.726910D+00  0.326137D+01 -0.663022D+00  0.442733D+00
               191           192           193           194           195 
      1   0.152534D+00  0.223842D+01 -0.162170D+00  0.221668D+01  0.349524D+00
      2   0.222121D+00  0.245193D+01  0.599263D-01  0.194529D+01  0.814755D+00
      3   0.389204D+00 -0.171652D+01  0.107509D+01 -0.467758D+00 -0.190787D+01
               196           197           198           199           200 
      1   0.355817D+01  0.250197D+01  0.175849D+02  0.647210D-01  0.519201D+00
      2   0.712356D+00 -0.234972D+01  0.192869D+02 -0.357335D+00 -0.463363D+00
      3  -0.189339D+01 -0.388217D+01  0.427025D+00  0.115380D+01 -0.410870D-01
               201           202           203           204           205 
      1  -0.248209D+00  0.525384D+01 -0.211826D-02 -0.148345D+01  0.102480D+01
      2  -0.556936D+00  0.163776D+01  0.158728D+01  0.775683D-01 -0.401874D+01
      3  -0.573414D+00  0.120266D+01  0.344562D+00 -0.801865D+00 -0.220615D+01
               206           207           208           209           210 
      1   0.252755D+01  0.393296D+01 -0.166216D+01  0.357152D-01  0.325472D-01
      2   0.662356D+00  0.318304D+01 -0.137815D+01  0.521963D+00 -0.103835D+01
      3  -0.144414D+01  0.311737D+00 -0.304629D+01 -0.598556D+00  0.537582D-02
               211           212           213           214           215 
      1   0.631953D+01 -0.619011D+00 -0.377108D-01  0.234563D+01  0.429829D+01
      2  -0.152467D+01 -0.217316D+01  0.302703D+01 -0.301702D+01  0.274235D+01
      3   0.964182D+01 -0.366843D+00  0.196226D+01  0.333926D+01  0.331596D+01
               216           217           218           219           220 
      1  -0.309426D+00  0.444487D+00 -0.510870D+00 -0.737182D+00 -0.224173D+01
      2  -0.105825D+02 -0.664767D+00  0.139384D+01  0.380729D+01  0.386573D+01
      3  -0.354837D+01  0.207134D+01 -0.252660D+01 -0.194236D+01 -0.715993D+01
               221           222           223           224           225 
      1   0.296438D+01  0.263105D+01 -0.256815D+01  0.424675D+01  0.501212D+01
      2  -0.887271D+01 -0.116600D+02  0.897278D+01 -0.750081D+01 -0.264185D+02
      3   0.689164D+01  0.114924D+02 -0.426557D+01  0.919441D+01  0.106618D+02
               226           227           228           229           230 
      1  -0.152237D+01 -0.820078D-01 -0.102550D+01 -0.880386D+00 -0.379101D+00
      2   0.165629D+02  0.901611D+00  0.107749D+02  0.323350D+00  0.120673D+01
      3   0.320091D+01 -0.613447D+01  0.462458D+00 -0.373024D+01 -0.867755D+00
               231           232           233           234           235 
      1  -0.526457D+00 -0.126141D+01  0.819719D+00 -0.751837D+00  0.146171D+00
      2  -0.116982D+01  0.103588D+02 -0.355839D+00  0.935669D+01  0.586671D+00
      3  -0.910873D+00  0.370062D+00 -0.325343D+01  0.123719D+01 -0.719049D+00
               236           237           238           239           240 
      1   0.701373D+00 -0.209882D+00 -0.190261D+01 -0.581872D+01 -0.259093D+00
      2   0.191426D+01  0.498506D+00  0.874130D+00 -0.926671D+01  0.673309D+01
      3   0.362215D+01 -0.242488D+01 -0.604294D+01 -0.345889D+02  0.123521D+02
               241           242           243 
      1  -0.646218D-01  0.180206D+01 -0.899129D-02
      2   0.322158D+01  0.630835D+01 -0.797607D+01
      3   0.530903D+00  0.867349D+01 -0.695126D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.126140D+01  0.176949D+02  0.165606D+02  0.164070D+02  0.126571D+02
      2   0.251962D+01 -0.146900D+02 -0.122120D+02 -0.137557D+02  0.420894D+01
      3  -0.378102D+01 -0.300495D+01 -0.434860D+01 -0.265134D+01 -0.168661D+02
      4   0.195058D+02 -0.249113D+01 -0.115566D+02 -0.124412D+01 -0.940653D+01
      5   0.243089D+02 -0.174112D+02 -0.193516D+02 -0.183823D+02  0.981001D+01
      6  -0.176160D+02 -0.474560D+01  0.526919D+01 -0.318435D+01  0.196491D+01
                 6             7             8             9            10 
      1  -0.494435D+01  0.126722D+02 -0.537195D+01 -0.135542D+02 -0.194693D+02
      2  -0.293782D+01 -0.820213D+01 -0.382787D+01 -0.158552D+01  0.209820D+02
      3   0.788218D+01 -0.447004D+01  0.919982D+01  0.151397D+02 -0.151264D+01
      4   0.144409D+02 -0.114234D+02  0.132210D+02  0.443633D+00 -0.357003D+02
      5  -0.189044D+00 -0.171008D+02  0.650923D+00 -0.709315D+01 -0.122750D+02
      6  -0.124907D+02  0.469106D+01 -0.107963D+02  0.773088D+01  0.495256D+01
                11            12            13            14            15 
      1  -0.211330D+02 -0.782228D+01 -0.246199D+02 -0.229160D+02 -0.435469D+01
      2   0.130009D+02  0.349956D+01  0.153752D+02  0.723366D+01  0.660399D+01
      3   0.813207D+01  0.432272D+01  0.924473D+01  0.156823D+02 -0.224931D+01
      4  -0.204792D+01  0.411837D+01 -0.146496D+01 -0.537272D+01 -0.148828D+02
      5   0.233976D+01  0.889261D+01  0.456865D+01 -0.124236D+02  0.116235D+01
      6  -0.354827D+01 -0.108357D+01 -0.186819D+01  0.104226D+02  0.100556D+00
                16            17            18            19            20 
      1   0.781254D+00 -0.343465D+01  0.118219D+02  0.588923D+02  0.888105D+01
      2  -0.848718D+01  0.911666D+01 -0.469738D+01 -0.590103D+02 -0.104656D+02
      3   0.770592D+01 -0.568201D+01 -0.712456D+01  0.118069D+00  0.158452D+01
      4   0.840069D+01 -0.185947D+02 -0.193899D+01  0.556168D+01 -0.149594D+02
      5   0.104752D+02 -0.575414D+00  0.186466D+02 -0.713749D+01 -0.389894D+01
      6  -0.238768D+01 -0.146379D+01 -0.907829D+01 -0.125944D+02 -0.366572D+01
                21            22            23            24            25 
      1   0.308584D+01  0.110007D+02  0.896945D+01 -0.194990D+01  0.320017D+01
      2  -0.382714D+01 -0.152062D+02 -0.113643D+02 -0.370461D+01  0.261187D+00
      3   0.741303D+00  0.420547D+01  0.239488D+01  0.565451D+01 -0.346135D+01
      4  -0.399859D+01 -0.323399D+02 -0.568683D+01  0.426439D+01 -0.853920D+01
      5   0.700245D+00 -0.827877D+01  0.329079D+00  0.522892D+01 -0.385325D+01
      6  -0.987216D+00 -0.798583D+01 -0.385871D+01  0.166103D+01 -0.150040D+01
                26            27            28            29            30 
      1  -0.172699D+01  0.698983D+01 -0.127904D+03 -0.650439D+01 -0.409944D+01
      2  -0.430668D+01  0.107923D+02  0.944558D+02  0.519796D+01  0.237517D+01
      3   0.603367D+01 -0.177821D+02  0.334483D+02  0.130643D+01  0.172428D+01
      4   0.625157D+01  0.525364D+01  0.296056D+01 -0.866878D+01 -0.143542D+01
      5   0.353255D+01 -0.674763D+01  0.555891D+01 -0.134756D+01 -0.969493D+01
      6   0.358688D+01  0.208276D+01  0.167032D+02  0.480918D+01  0.122624D+01
                31            32            33            34            35 
      1  -0.309589D+02 -0.249243D+02 -0.739474D+01  0.288131D+02 -0.367299D+01
      2   0.262829D+02  0.238363D+02  0.422897D+01 -0.166581D+02  0.446177D+01
      3   0.467594D+01  0.108799D+01  0.316576D+01 -0.121550D+02 -0.788783D+00
      4  -0.769383D+01 -0.871308D+01 -0.243353D+01 -0.994245D+00 -0.169807D+00
      5  -0.680871D+00 -0.785807D+00 -0.209887D+01  0.114404D+01  0.200341D+01
      6   0.254014D+01  0.676751D+01  0.398723D+01 -0.714898D+00 -0.464511D+00
                36            37            38            39            40 
      1  -0.350957D+01  0.156128D+03  0.104763D+02  0.890730D+01  0.322386D+02
      2  -0.984385D+00 -0.109588D+03 -0.686173D+01 -0.617698D+01 -0.168982D+02
      3   0.449395D+01 -0.465402D+02 -0.361457D+01 -0.273033D+01 -0.153405D+02
      4   0.247195D+01 -0.609638D+01  0.161444D+02  0.126354D+01  0.299852D+02
      5  -0.208562D+01  0.126399D+02  0.284870D+01  0.180635D+02  0.672071D+01
      6   0.494492D+01 -0.176934D+02 -0.468078D+01 -0.280020D+01 -0.109463D+02
                41            42            43            44            45 
      1   0.389869D+01 -0.234704D+01 -0.301746D+02 -0.795840D+01  0.125959D+02
      2   0.334185D+01 -0.315752D+01  0.195198D+02  0.310678D+01 -0.173546D+01
      3  -0.724054D+01  0.550456D+01  0.106548D+02  0.485162D+01 -0.108604D+02
      4   0.684334D+01 -0.244768D+01  0.318347D+01 -0.313041D+01 -0.698212D+01
      5  -0.185709D+01 -0.501515D+01  0.248532D+02 -0.508822D+01  0.805472D+01
      6  -0.732932D+00  0.441614D+01 -0.214355D+01  0.311455D+01  0.608716D+01
                46            47            48            49            50 
      1  -0.696603D+02 -0.456986D+01  0.429852D+01  0.427169D+01 -0.401622D+01
      2   0.495228D+02 -0.191798D+01  0.768861D+00 -0.804234D+01  0.664279D+01
      3   0.201375D+02  0.648784D+01 -0.506738D+01  0.377065D+01 -0.262657D+01
      4  -0.288569D+01 -0.146975D+02  0.339042D+01 -0.241595D+01  0.270326D+01
      5  -0.883302D+01  0.338458D+00 -0.134638D+02  0.212969D+02 -0.613120D+01
      6   0.120498D+02  0.126407D+01  0.186469D+00 -0.244754D+01  0.517893D+01
                51            52            53            54            55 
      1   0.652874D+01 -0.479574D+02  0.292986D+01 -0.138961D+02  0.309822D+02
      2  -0.842696D+01  0.440801D+02  0.180634D+01  0.191197D+02 -0.181922D+02
      3   0.189822D+01  0.387726D+01 -0.473620D+01 -0.522361D+01 -0.127900D+02
      4  -0.763032D+01  0.233824D+02 -0.813942D+01  0.104454D+02 -0.889483D+01
      5   0.883936D+01 -0.563319D+02  0.581413D+01 -0.434674D+02  0.226644D+02
      6   0.283932D+01  0.132663D+02 -0.596733D+01  0.690449D+01 -0.211979D+01
                56            57            58            59            60 
      1  -0.411189D+01  0.127810D+02 -0.240314D+02 -0.102903D+01 -0.193428D+01
      2   0.316838D+01 -0.847900D+01  0.150883D+02  0.201230D+01  0.248397D+01
      3   0.943507D+00 -0.430200D+01  0.894312D+01 -0.983264D+00 -0.549687D+00
      4   0.127704D+02 -0.455075D+01  0.231058D+02 -0.161159D+02  0.210546D+02
      5  -0.356578D+01  0.202993D+02 -0.169692D+02  0.204545D+02 -0.128094D+02
      6   0.186633D+01 -0.151842D+01  0.107034D+02 -0.853767D+01  0.135199D+02
                61            62            63            64            65 
      1   0.682854D+02  0.372487D+01 -0.219961D-01 -0.275097D+01  0.353325D+02
      2  -0.532880D+02 -0.272829D+01 -0.297026D+02 -0.190456D+02 -0.241156D+02
      3  -0.149974D+02 -0.996580D+00  0.297246D+02  0.217966D+02 -0.112169D+02
      4  -0.138769D+02  0.177217D+02 -0.156514D+02  0.347216D+02 -0.186324D+02
      5   0.637637D+02 -0.102376D+02  0.758048D+02  0.884182D+01 -0.226593D+01
      6  -0.116287D+02  0.145191D+02 -0.908316D+01 -0.729856D+01  0.626647D+01
                66            67            68            69            70 
      1   0.105989D+02  0.314539D+02  0.519178D+01 -0.266210D+00  0.106508D+02
      2  -0.499515D+00 -0.197349D+02 -0.573547D+01 -0.660296D+01  0.468822D+01
      3  -0.100994D+02 -0.117191D+02  0.543691D+00  0.686917D+01 -0.153390D+02
      4  -0.122827D+02 -0.141053D+02 -0.546755D+01  0.145056D+02 -0.179836D+02
      5  -0.461726D+01 -0.373302D+01  0.140943D+02 -0.522215D+01 -0.636243D+01
      6   0.415551D+01  0.759897D+01 -0.119890D+02  0.469995D+01  0.554818D+01
                71            72            73            74            75 
      1  -0.230553D+01 -0.301422D+01 -0.756952D+01 -0.969287D+01  0.344780D+01
      2  -0.933135D+01  0.165951D+02  0.487252D+01  0.763640D+01  0.461524D+01
      3   0.116369D+02 -0.135809D+02  0.269700D+01  0.205647D+01 -0.806304D+01
      4   0.171186D+02  0.341293D+01 -0.803728D+01  0.106542D+02  0.112007D+02
      5  -0.105165D+01 -0.325070D+02  0.104656D+02  0.107621D+02 -0.258273D+02
      6   0.477787D+01  0.188668D+02  0.296957D+01  0.755582D+01 -0.320854D+01
                76            77            78            79            80 
      1  -0.116191D+02  0.308597D+02  0.177075D+02  0.926823D+01  0.183481D+02
      2   0.980833D+01 -0.145000D+02 -0.993013D+01  0.384160D+01 -0.104992D+02
      3   0.181076D+01 -0.163597D+02 -0.777739D+01 -0.131098D+02 -0.784891D+01
      4   0.229283D+02  0.199675D+02  0.923602D+01  0.199952D+02  0.123998D+02
      5   0.177102D+02  0.698390D+01  0.278633D+01 -0.370792D+02  0.112711D+00
      6   0.698642D+01  0.148347D+01  0.753522D+00 -0.553033D+01  0.164707D+01
                81            82            83            84            85 
      1  -0.306795D+02 -0.364318D+02  0.650745D+01  0.548501D+01  0.862018D+01
      2   0.230602D+02  0.402419D+02  0.503018D+01 -0.604643D+01  0.455574D+01
      3   0.761929D+01 -0.381011D+01 -0.115376D+02  0.561424D+00 -0.131759D+02
      4  -0.479636D+01  0.227416D+02  0.175714D+02 -0.110352D+01  0.227769D+02
      5  -0.154403D+02  0.488693D+01  0.444583D+00  0.259549D+01 -0.104415D+01
      6   0.193837D+01  0.105857D+02 -0.214693D+01  0.259270D+01 -0.983355D+00
                86            87            88            89            90 
      1   0.696978D+01 -0.924146D+00  0.177911D+02  0.256331D+01  0.227816D+02
      2  -0.941472D+00  0.177295D+01 -0.183562D+02 -0.219165D+01 -0.247544D+02
      3  -0.602830D+01 -0.848809D+00  0.565119D+00 -0.371663D+00  0.197284D+01
      4  -0.301613D+00 -0.762048D+01 -0.618850D+01 -0.121015D+02 -0.118664D+02
      5  -0.319300D+01 -0.117821D+02  0.233853D+01 -0.151790D+02  0.201975D+01
      6  -0.943304D+01 -0.198066D+02 -0.162760D+01 -0.286629D+02 -0.422731D+01
                91            92            93            94            95 
      1  -0.222503D+02  0.718510D+01 -0.371813D+02  0.186064D+02  0.121775D+02
      2   0.959342D+01 -0.162572D+01  0.173596D+02 -0.146383D+02 -0.115782D+02
      3   0.126569D+02 -0.555938D+01  0.198218D+02 -0.396809D+01 -0.599227D+00
      4   0.124395D+02  0.122389D+02 -0.105937D+02 -0.404488D+01 -0.319203D+02
      5  -0.419886D+02 -0.973734D+01 -0.411693D+01 -0.116128D+02  0.256727D+02
      6  -0.605078D+01 -0.410858D+01  0.217818D+01  0.252205D+01  0.980430D+01
                96            97            98            99           100 
      1  -0.911157D+01 -0.543199D+02 -0.888577D+01 -0.185990D+02  0.358500D+02
      2   0.154628D+02  0.248301D+02  0.118543D+02  0.151830D+02 -0.237521D+02
      3  -0.635124D+01  0.294898D+02 -0.296857D+01  0.341601D+01 -0.120979D+02
      4   0.277767D+02 -0.117499D+02  0.210320D+02  0.118266D+02  0.589508D+01
      5   0.181809D+02 -0.228937D+02  0.121273D+02  0.315783D+02  0.253315D+02
      6  -0.788002D+01  0.306216D+01 -0.475625D+01 -0.574145D+01  0.193641D+01
               101           102           103           104           105 
      1   0.143146D+01  0.170342D+02 -0.471082D+01  0.132092D+01 -0.468889D+01
      2  -0.315226D+00 -0.130939D+02  0.373233D+01 -0.176000D+01  0.404287D+01
      3  -0.111623D+01 -0.394030D+01  0.978492D+00  0.439081D+00  0.646015D+00
      4   0.508359D+01  0.117969D+01  0.619917D+01 -0.322806D+01  0.555710D+01
      5  -0.938836D+00  0.231571D+02 -0.572271D+01  0.668357D+01 -0.451871D+01
      6   0.111258D+01  0.253221D+01  0.209762D+01 -0.106222D+00  0.383837D+01
               106           107           108           109           110 
      1   0.260360D+02 -0.240881D+01  0.189572D+02  0.591385D+02  0.135120D+02
      2  -0.220320D+02  0.293017D+01 -0.228895D+02 -0.296467D+02 -0.491057D+01
      3  -0.400398D+01 -0.521353D+00  0.393228D+01 -0.294918D+02 -0.860144D+01
      4   0.222451D+01  0.869850D+01  0.383305D+01  0.255932D+02  0.131902D+02
      5   0.363313D+02  0.633865D+00  0.407012D+02 -0.227300D+02 -0.641425D+01
      6   0.403669D+01  0.408632D+01  0.522767D+01 -0.659841D+01 -0.311543D+01
               111           112           113           114           115 
      1  -0.179674D+02  0.115390D+02  0.496280D+01 -0.484051D+01 -0.324986D+02
      2   0.911419D+01 -0.333560D+01  0.136955D+01  0.142768D+01  0.170991D+02
      3   0.885322D+01 -0.820341D+01 -0.633235D+01  0.341283D+01  0.153995D+02
      4  -0.919151D+01  0.156999D+02  0.107165D+02 -0.837854D+01 -0.169774D+02
      5   0.190538D+02 -0.696442D+01 -0.757746D+01  0.450394D+01  0.290922D+02
      6   0.424376D+01 -0.397323D+01 -0.278680D+01  0.371505D+01  0.768236D+01
               116           117           118           119           120 
      1  -0.821938D+01  0.191978D+02  0.552131D+00 -0.520902D+00  0.256782D+01
      2   0.261000D+01 -0.138208D+02 -0.385445D+01  0.321773D+00  0.584678D-01
      3   0.560938D+01 -0.537695D+01  0.330232D+01  0.199129D+00 -0.262629D+01
      4  -0.136125D+02  0.103519D+02 -0.162404D+01  0.278838D+01  0.549093D+00
      5   0.710329D+01 -0.215537D+02  0.123027D+01 -0.283681D+00  0.558823D+01
      6   0.428750D+01 -0.662999D+01 -0.471675D+00 -0.146663D+00  0.855096D-01
               121           122           123           124           125 
      1   0.565258D+00 -0.513236D+01  0.426514D+01  0.843364D+00  0.215420D+01
      2   0.156322D+00  0.930734D+00  0.817196D+00 -0.640165D+00  0.218684D+01
      3  -0.721580D+00  0.420163D+01 -0.508234D+01 -0.203199D+00 -0.434103D+01
      4   0.277883D+01 -0.136340D+01  0.150861D+01  0.275758D+00  0.361652D+01
      5  -0.566431D+00  0.114966D+01 -0.243338D+01  0.529611D+01 -0.169700D+01
      6  -0.447159D-01 -0.230694D+01  0.595864D+01 -0.114110D+00  0.456075D+01
               126           127           128           129           130 
      1  -0.214804D+02 -0.694857D+00  0.584768D+01 -0.416104D+01  0.347966D+01
      2  -0.117159D+02  0.969003D+00 -0.750932D+01  0.366909D+01 -0.343353D+01
      3   0.331962D+02 -0.274146D+00  0.166163D+01  0.491945D+00 -0.461247D-01
      4  -0.292858D+01 -0.141748D+01  0.127447D+01 -0.251543D+01  0.290079D+01
      5   0.111045D+02 -0.150395D+01 -0.175572D-01  0.112366D+00 -0.638986D-01
      6  -0.145919D+00 -0.499709D+01  0.235912D+01 -0.288436D+01  0.743879D+00
               131           132           133           134           135 
      1  -0.192794D+02  0.800538D+01 -0.702123D+01  0.138501D+02 -0.154328D+02
      2   0.269114D+02 -0.109325D+02  0.439297D+01 -0.187498D+02  0.143054D+02
      3  -0.763204D+01  0.292711D+01  0.262826D+01  0.489967D+01  0.112740D+01
      4   0.105788D+02 -0.406433D+01 -0.497696D+01 -0.770007D+01  0.617670D+01
      5  -0.565430D+01  0.611534D+01  0.558861D+00  0.871805D+01 -0.108474D+02
      6  -0.994653D+01  0.119314D+02 -0.552933D+00  0.162147D+02 -0.158441D+02
               136           137           138           139           140 
      1   0.407816D+01  0.567615D+01  0.351392D+01  0.241264D+01 -0.271402D+02
      2  -0.301068D+01 -0.406033D+01 -0.145741D+01 -0.908509D-01  0.338312D+02
      3  -0.106748D+01 -0.161582D+01 -0.205651D+01 -0.232179D+01 -0.669106D+01
      4   0.443453D+01  0.623170D+01  0.474192D+01  0.823547D+01  0.228936D+02
      5   0.295393D+01  0.344256D+01  0.418989D+01  0.391494D+01  0.118833D+02
      6   0.466798D+01 -0.254206D+00 -0.602959D+00  0.385731D+01  0.270683D+02
               141           142           143           144           145 
      1  -0.134547D+02 -0.957838D+00 -0.212901D+02 -0.210459D+02 -0.232637D+01
      2   0.137046D+02  0.311367D+01  0.193801D+02  0.122397D+02 -0.125109D+01
      3  -0.249942D+00 -0.215583D+01  0.190999D+01  0.880628D+01  0.357746D+01
      4   0.117019D+02  0.956626D+01  0.174289D+02  0.135255D+02  0.892481D+00
      5   0.957419D+01  0.687090D+01  0.148430D+02  0.141783D+02 -0.307238D+01
      6   0.206347D+02  0.507777D+01  0.291629D+02  0.261403D+02 -0.103638D+01
               146           147           148           149           150 
      1   0.159114D+01 -0.591831D+01  0.258099D+01 -0.941490D+01  0.975665D+01
      2   0.861167D+00  0.107767D+01 -0.689855D+00 -0.820815D+00  0.675992D+01
      3  -0.245231D+01  0.484064D+01 -0.189113D+01  0.102357D+02 -0.165166D+02
      4   0.258515D+00  0.126013D+01  0.318111D+00  0.156950D+02 -0.880736D+01
      5  -0.463408D+00  0.381858D+01 -0.269637D+01 -0.686757D+01  0.107560D+02
      6   0.265382D+01 -0.160794D+01  0.171829D+01 -0.163332D+02  0.109157D+02
               151           152           153           154           155 
      1  -0.354045D+01  0.712904D+01 -0.102000D+02  0.277226D+02 -0.711720D+01
      2   0.120480D+01  0.451227D+01 -0.763572D+01 -0.198061D+02  0.385436D+01
      3   0.233565D+01 -0.116413D+02  0.178357D+02 -0.791647D+01  0.326283D+01
      4   0.884837D+00 -0.686981D+01  0.720052D+01 -0.209633D+02  0.141349D+02
      5   0.452673D+01  0.575297D+01 -0.857569D+01 -0.371190D+02  0.138018D+02
      6  -0.130259D+01  0.104328D+02 -0.916135D+01  0.119482D+02 -0.829145D+01
               156           157           158           159           160 
      1  -0.881472D+01 -0.697068D+01  0.101203D+01 -0.592542D-02 -0.615970D+01
      2   0.141209D+02  0.375037D+01 -0.511826D+00 -0.196955D+01  0.111253D+02
      3  -0.530621D+01  0.322031D+01 -0.500207D+00  0.197547D+01 -0.496555D+01
      4   0.115453D+02  0.135372D+02 -0.111606D+02 -0.100059D+02  0.823593D+01
      5   0.293039D+02  0.131324D+02 -0.114112D+02 -0.106190D+02  0.221183D+02
      6  -0.947415D+01 -0.789014D+01  0.832923D+01  0.981565D+01 -0.739337D+01
               161           162           163           164           165 
      1   0.282604D+00  0.286900D+01 -0.119382D+02 -0.129109D+02 -0.126303D+02
      2  -0.205272D+01 -0.109861D+02  0.586807D+01  0.908643D+01  0.179505D+01
      3   0.177011D+01  0.811705D+01  0.607015D+01  0.382451D+01  0.108352D+02
      4  -0.623848D+01 -0.856876D+01  0.158824D+01 -0.319084D+00  0.845459D+00
      5  -0.842352D+01 -0.216913D+02  0.661104D+01  0.494413D+01  0.184868D+01
      6   0.729212D+01  0.836380D+01  0.903682D+01  0.101008D+02  0.718377D+01
               166           167           168           169           170 
      1  -0.103502D+02 -0.166657D+02 -0.893671D+01 -0.663808D+01 -0.530259D+01
      2   0.777645D+01  0.123932D+02  0.263222D+01  0.868679D+00  0.914718D+00
      3   0.257375D+01  0.427253D+01  0.630449D+01  0.576940D+01  0.438787D+01
      4   0.153299D+01 -0.283418D+01 -0.361424D+01  0.135376D+01 -0.181948D+01
      5   0.664538D+01  0.566293D+00 -0.174715D+01  0.402676D+01  0.574854D-01
      6   0.657758D+01  0.129647D+02  0.109264D+02  0.389352D+01  0.769867D+01
               171           172           173           174           175 
      1  -0.814959D+01 -0.147624D+02 -0.245228D+02 -0.121893D+01 -0.157440D+02
      2   0.524644D+00  0.165224D+02  0.279637D+02  0.100758D+01  0.159029D+02
      3   0.762495D+01 -0.176000D+01 -0.344085D+01  0.211356D+00 -0.158850D+00
      4  -0.526469D+00  0.475219D+01  0.597898D+00  0.255037D+01  0.564436D+01
      5   0.962425D+00 -0.480795D+01 -0.161285D+01 -0.177862D+01 -0.202304D+01
      6   0.598884D+01  0.236443D+00 -0.348422D+01  0.524711D+01 -0.149193D+01
               176           177           178           179           180 
      1  -0.277794D+02 -0.566543D+00 -0.324586D+01 -0.221798D+01 -0.548731D+01
      2   0.380812D+02  0.200112D+01  0.141680D+01  0.541185D+01  0.372663D+01
      3  -0.103018D+02 -0.143457D+01  0.182906D+01 -0.319387D+01  0.176068D+01
      4  -0.762133D+01 -0.952817D+00  0.319188D+01 -0.368101D+01 -0.380582D+00
      5  -0.357056D+01 -0.172460D+01 -0.103098D+00 -0.202782D+01  0.158393D+01
      6  -0.267949D+01  0.501979D+01  0.259949D+01  0.551369D+01 -0.644266D+00
               181           182           183           184           185 
      1   0.435771D+02 -0.179929D+02 -0.777474D+01 -0.142312D+02  0.574008D+01
      2  -0.796240D+01 -0.285416D+01  0.147512D+01 -0.292539D+01  0.114423D+02
      3  -0.356147D+02  0.208471D+02  0.629962D+01  0.171566D+02 -0.171824D+02
      4  -0.494123D+02  0.345395D+02  0.751523D+01  0.286495D+02 -0.266854D+02
      5  -0.360620D+01  0.967765D+00  0.962450D+01  0.165219D+01 -0.330598D+01
      6   0.368738D+01 -0.160726D+01 -0.691495D+01 -0.179499D+01  0.261088D+01
               186           187           188           189           190 
      1   0.110605D+01 -0.115120D+02  0.260735D+01  0.587593D+01  0.377372D+01
      2   0.275454D+01  0.497147D+00  0.536824D+01 -0.255478D+01 -0.249675D+01
      3  -0.386060D+01  0.110148D+02 -0.797559D+01 -0.332116D+01 -0.127697D+01
      4  -0.642094D+01  0.157601D+02 -0.143228D+02 -0.943277D+01 -0.642690D+01
      5  -0.307767D+01  0.983190D+01 -0.546355D+01 -0.438615D+01  0.732123D+01
      6   0.360268D+01 -0.731175D+01  0.459281D+01  0.348498D+01 -0.324576D+01
               191           192           193           194           195 
      1  -0.414441D+01  0.466943D+01 -0.528688D+00 -0.227354D+01  0.261552D+01
      2   0.232079D+01 -0.473336D+01  0.134954D-01 -0.303229D+00 -0.442622D+01
      3   0.182362D+01  0.639330D-01  0.515192D+00  0.257677D+01  0.181070D+01
      4   0.438620D+01 -0.295500D+01  0.229980D+01  0.122025D+01  0.367131D+01
      5  -0.119051D+01  0.102083D+02  0.109353D+01  0.383466D+01  0.178322D+01
      6   0.506152D+00 -0.351553D+01  0.446044D+00 -0.188341D+01  0.486126D+01
               196           197           198           199           200 
      1   0.382000D+01  0.446238D+01 -0.981632D+01 -0.157804D+01 -0.728540D+00
      2  -0.612541D+01 -0.451227D+01 -0.169386D+02  0.156563D+01  0.576401D+00
      3   0.230541D+01  0.498827D-01  0.267550D+02  0.124149D-01  0.152139D+00
      4  -0.556681D+01  0.810956D+01 -0.855039D+01 -0.106416D+00  0.141033D+01
      5   0.151270D+02 -0.616772D+01  0.427110D+02  0.493357D-01 -0.484841D+00
      6  -0.725219D+01  0.976644D+01 -0.293810D+02 -0.681189D+00  0.205478D+00
               201           202           203           204           205 
      1   0.903764D+00 -0.157606D+01 -0.207574D+01  0.494214D+01  0.490437D+01
      2  -0.628861D+00 -0.215740D+01  0.113171D+01 -0.269081D+01 -0.241854D+01
      3  -0.274903D+00  0.373346D+01  0.944029D+00 -0.225133D+01 -0.248583D+01
      4  -0.714162D+00  0.781101D+00 -0.112596D+01  0.185609D+01 -0.541606D+00
      5   0.238916D+01 -0.658872D+00  0.965155D+00 -0.901350D+00  0.185992D+01
      6   0.469875D-02  0.969116D+00 -0.368974D+01  0.385098D+01  0.694458D+00
               206           207           208           209           210 
      1   0.595869D+01 -0.123612D+02  0.214275D+01  0.255565D+01 -0.585678D+01
      2  -0.430248D+01  0.779099D+00 -0.329604D+01 -0.140794D+01  0.231328D+01
      3  -0.165622D+01  0.115821D+02  0.115329D+01 -0.114770D+01  0.354351D+01
      4   0.198614D+01 -0.303302D+01  0.267869D+01  0.120080D+01 -0.151482D+01
      5  -0.193891D+01  0.424811D+01 -0.534976D+01 -0.170009D+01  0.405713D+01
      6   0.477325D+01 -0.700931D+01 -0.198456D+01  0.269152D+00  0.348785D+00
               211           212           213           214           215 
      1   0.247490D+01 -0.460304D+01  0.411170D+01 -0.241246D+01  0.451184D+01
      2  -0.407581D+01  0.684727D+00  0.140867D+01  0.361665D+01  0.227201D+00
      3   0.160092D+01  0.391832D+01 -0.552037D+01 -0.120418D+01 -0.473904D+01
      4  -0.183474D+01  0.190821D+01 -0.275993D+01 -0.369472D+01 -0.388212D+01
      5  -0.511064D+01 -0.372002D+01  0.673858D+01  0.769522D+01  0.569862D+01
      6   0.115600D+01 -0.343418D+01  0.467813D+01  0.244732D+01  0.620697D+01
               216           217           218           219           220 
      1  -0.183801D+02  0.160188D+02 -0.717267D+01 -0.763205D+01 -0.176462D+02
      2  -0.748962D+01 -0.117060D+02  0.423322D+01  0.591347D+01  0.114308D+02
      3   0.258697D+02 -0.431280D+01  0.293945D+01  0.171858D+01  0.621539D+01
      4   0.439692D+01 -0.805361D+01  0.322415D+01  0.525625D+01  0.118231D+02
      5  -0.210433D+02 -0.946217D+01  0.607385D+01  0.118598D+02  0.149119D+02
      6  -0.641710D+01  0.282705D+01 -0.446429D+00 -0.843123D+00 -0.407038D+01
               221           222           223           224           225 
      1   0.116347D+01  0.469764D+01 -0.204992D+02 -0.416044D+00  0.883795D+01
      2  -0.174851D+01 -0.921337D+01  0.166593D+02 -0.502364D+01 -0.222727D+02
      3   0.585039D+00  0.451573D+01  0.383986D+01  0.543969D+01  0.134347D+02
      4  -0.138247D+02 -0.200241D+02  0.473087D+01 -0.182328D+02 -0.165630D+02
      5  -0.188688D+02 -0.244497D+02  0.324908D+02 -0.151741D+02 -0.578096D+02
      6   0.580117D+01  0.865833D+01 -0.238980D+01  0.699583D+01  0.645810D+01
               226           227           228           229           230 
      1   0.100698D+03  0.179295D+01  0.233406D+02 -0.552106D+01  0.103193D+02
      2  -0.480319D+02  0.255011D+00 -0.102690D+02  0.395561D+01 -0.334099D+01
      3  -0.526661D+02 -0.204796D+01 -0.130716D+02  0.156545D+01 -0.697830D+01
      4   0.629284D+01  0.125924D+02  0.276861D+01  0.149953D+02  0.327798D+01
      5   0.195603D+02  0.192122D+01  0.162315D+02  0.104533D+01  0.209649D+01
      6   0.320499D+01 -0.372602D-01  0.165051D+01  0.200069D+00 -0.481100D+00
               231           232           233           234           235 
      1   0.541121D+00  0.461131D+02  0.261397D+01  0.197586D+02  0.212907D+01
      2  -0.925355D+00 -0.218169D+02 -0.130012D+01 -0.110090D+02  0.733062D+00
      3   0.384235D+00 -0.242962D+02 -0.131385D+01 -0.874954D+01 -0.286213D+01
      4   0.253060D+01  0.502221D+01  0.670063D+01  0.114807D-01  0.504118D+01
      5  -0.270936D+01  0.224750D+02 -0.604755D+00  0.165101D+02  0.267059D+01
      6   0.203072D+01  0.240179D+01  0.166169D+01  0.258397D+01 -0.241814D+01
               236           237           238           239           240 
      1   0.994559D+01  0.161422D+00  0.192033D+02 -0.103784D+02  0.332529D+01
      2  -0.642638D+01  0.120937D+00 -0.553706D+01  0.233242D+02 -0.494916D+01
      3  -0.351921D+01 -0.282359D+00 -0.136663D+02 -0.129458D+02  0.162387D+01
      4   0.102090D+00  0.140299D+01  0.201586D+02  0.605043D+02 -0.208518D+02
      5   0.623832D+00 -0.390704D-01 -0.818470D+01 -0.191570D+02  0.136286D+02
      6   0.130984D+01 -0.146370D+01 -0.422691D+01 -0.170211D+02  0.108664D+02
               241           242           243 
      1  -0.438110D+01  0.395751D+01  0.539496D+00
      2   0.266984D+01 -0.317849D+01 -0.956283D+00
      3   0.171125D+01 -0.779016D+00  0.416787D+00
      4  -0.369463D+01 -0.157901D+02  0.118686D+02
      5   0.120551D+02  0.120616D+02 -0.176463D+02
      6   0.192954D+01  0.979738D+01 -0.626390D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x         -0.691470D+00     -0.175754D+01     -0.586253D+01
   y          0.308382D+00      0.783828D+00      0.261457D+01
   z         -0.974522D+00     -0.247699D+01     -0.826234D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.161954D+03      0.239991D+02      0.267026D+02
   yx         0.539450D+01      0.799383D+00      0.889434D+00
   yy         0.104291D+03      0.154544D+02      0.171953D+02
   zx        -0.277386D+01     -0.411043D+00     -0.457347D+00
   zy        -0.301374D+01     -0.446590D+00     -0.496899D+00
   zz         0.109144D+03      0.161735D+02      0.179955D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130296D+03      0.193079D+02      0.214830D+02
   aniso      0.596596D+02      0.884064D+01      0.983653D+01
   xx         0.169207D+03      0.250738D+02      0.278984D+02
   yx         0.548067D+01      0.812151D+00      0.903640D+00
   yy         0.108578D+03      0.160896D+02      0.179021D+02
   zx        -0.279089D+01     -0.413567D+00     -0.460155D+00
   zy        -0.282406D+01     -0.418482D+00     -0.465624D+00
   zz         0.113105D+03      0.167604D+02      0.186484D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.47003587         -1.55170563         -0.14292920
     6         -3.17181872         -0.51541034          2.21084510
     6         -0.77111491          1.15060717          1.59450997
     6          0.66859704          0.65979770         -0.74467458
     6          3.10824202          0.02707780         -0.85801554
     6          4.40266170         -0.45926070         -3.29830993
     8          3.32022049         -0.31998661         -5.31906242
     6         -2.72446495         -2.60046238          4.12911090
     6         -4.47705279          1.93040096          3.18411819
     6         -2.50220805          3.51604622          1.73593716
     6          7.17124817         -1.14545872         -3.12985568
     1         -4.28457458          2.13565878          5.22637184
     1         -6.45807385          2.18504040          2.67893685
     1          0.49184684          1.10174215          3.22626510
     1         -3.16702927          4.07854473         -0.13092037
     1         -1.71674391          5.16969495          2.67562958
     1         -4.83542943         -0.07993794         -1.54017085
     1         -6.28577299         -2.38877203          0.37077317
     1         -3.32727180         -3.01218529         -1.04791291
     1         -1.50561697         -4.07288662          3.34530268
     1         -4.50723066         -3.48641399          4.68169538
     1         -1.82450685         -1.86588607          5.83436726
     1         -0.33566003          0.81103852         -2.52907238
     1          4.21987844         -0.14603612          0.85714660
     1          8.22104849          0.36948520         -2.19585100
     1          7.93654250         -1.46694317         -5.00912134
     1          7.41248586         -2.84206233         -1.97536526

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.123407D+01      0.313669D+01      0.104629D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.148545D+03      0.220120D+02      0.244917D+02
   yx        -0.848723D+01     -0.125768D+01     -0.139936D+01
   yy         0.104200D+03      0.154408D+02      0.171802D+02
   zx        -0.220757D+02     -0.327128D+01     -0.363979D+01
   zy         0.362876D+01      0.537726D+00      0.598301D+00
   zz         0.122645D+03      0.181742D+02      0.202215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130296D+03      0.193079D+02      0.214830D+02
   aniso      0.596596D+02      0.884064D+01      0.983653D+01
   xx         0.154756D+03      0.229324D+02      0.255157D+02
   yx        -0.869177D+01     -0.128799D+01     -0.143308D+01
   yy         0.108588D+03      0.160911D+02      0.179038D+02
   zx        -0.236089D+02     -0.349848D+01     -0.389259D+01
   zy         0.386843D+01      0.573243D+00      0.637819D+00
   zz         0.127546D+03      0.189003D+02      0.210294D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K14-12-01\Freq\RM11\Gen\C10H16O1\PIERPA\13-Aug-2021\0\\#P
  M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gues
 s=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.843861,0.58
 8513,1.590318\C,-2.018204,0.424265,0.084751\C,-0.856893,-0.408703,-0.5
 89828\C,0.485225,-0.40776,0.025693\C,1.609556,0.001394,-0.566648\C,2.9
 18071,-0.019332,0.133614\O,3.039154,-0.402492,1.280585\C,-2.30546,1.76
 1314,-0.573782\C,-2.977579,-0.750179,-0.258376\C,-1.752114,-1.669731,-
 0.448443\C,4.104594,0.468016,-0.666946\H,-3.507633,-0.576978,-1.196011
 \H,-3.702742,-1.029046,0.506445\H,-0.787609,-0.115682,-1.639725\H,-1.5
 11957,-2.231397,0.454425\H,-1.756468,-2.357491,-1.292692\H,-1.649939,-
 0.363032,2.087921\H,-2.753812,1.008771,2.024721\H,-1.016421,1.262039,1
 .822785\H,-1.480256,2.460114,-0.412932\H,-3.210529,2.213045,-0.158939\
 H,-2.4488,1.648912,-1.65036\H,0.569847,-0.76254,1.049131\H,1.593223,0.
 362635,-1.5901\H,4.223011,-0.138714,-1.568854\H,5.009053,0.415379,-0.0
 66038\H,3.937783,1.497147,-0.996563\\Version=ES64L-G16RevA.03\State=1-
 A\HF=-466.1116529\RMSD=2.160e-09\RMSF=8.976e-06\ZeroPoint=0.2367909\Th
 ermal=0.2493456\Dipole=-0.69147,0.3083817,-0.974522\DipoleDeriv=0.0657
 534,0.0069732,-0.0172058,0.0211723,0.0347595,0.0112517,-0.035835,0.024
 6409,-0.0132225,0.1915249,-0.0702851,0.0257234,-0.0820356,0.2219477,-0
 .0794135,-0.1600755,-0.0234872,0.1231099,-0.367437,0.0307619,0.0312528
 ,0.0249573,-0.0215964,-0.0067699,0.114206,-0.0019437,0.0871667,0.71896
 69,0.0672419,-0.0036088,0.1590771,-0.1189716,-0.0508093,-0.0591823,-0.
 0858702,0.0211094,-1.2679067,-0.0862083,-0.0466721,-0.2083301,-0.15743
 81,-0.0911025,0.0745569,-0.0642812,0.0544403,1.8519835,0.2272502,-0.04
 86766,0.1285886,0.2795585,-0.2746723,0.4451373,-0.2346031,0.9143411,-0
 .8512312,-0.0397696,-0.0590906,0.0750123,-0.3829481,0.2145172,-0.45587
 22,0.1823708,-0.9442647,0.0187631,0.012635,-0.0149266,0.0223489,-0.017
 5933,0.0422712,0.0534455,0.0343408,0.0492657,0.1011384,-0.0047914,-0.0
 757154,0.0209835,-0.0554644,-0.047061,-0.0086152,-0.0403879,0.1235811,
 0.0607126,0.0025259,0.0199063,0.0206036,0.1272619,0.0905842,-0.1118669
 ,0.0224847,0.1715501,-0.2860955,-0.1233095,0.2042164,-0.1555785,0.0213
 457,0.100207,0.2619314,0.1071192,-0.1061238,-0.0330622,0.0089865,-0.05
 71012,0.0388026,0.034423,0.0280109,-0.1255541,0.0112158,-0.107575,-0.1
 129684,-0.0355,0.0685224,-0.0333589,0.0140303,0.0214565,0.1517655,0.04
 36918,-0.0431431,-0.0246947,-0.0206953,0.028565,-0.0249846,0.0115949,0
 .0515956,-0.0157689,0.0397866,-0.1335935,0.0299979,0.0411033,-0.043871
 7,0.020715,-0.0084228,0.0398833,-0.0247994,0.1035669,-0.0726244,-0.007
 2308,0.0034599,0.0071916,-0.04374,-0.0892516,-0.0800627,0.0068556,-0.1
 502186,-0.0569279,0.0643428,0.0339892,-0.0345214,0.0367837,-0.0946312,
 0.0969024,-0.0297198,0.055242,0.0028566,-0.1096132,0.080267,0.103362,0
 .0770588,0.0310342,-0.054326,0.0545677,-0.0422201,0.0106424,-0.0386015
 ,-0.1037304,-0.0559145,-0.1068775,-0.0197992,-0.0366959,-0.0137887,-0.
 0176348,0.0197593,-0.0451485,-0.1285311,-0.020106,-0.0640892,-0.052667
 6,-0.0054124,-0.0404377,-0.0155902,0.050396,-0.1004641,0.1101052,0.057
 22,0.0953426,-0.0055559,-0.0110972,0.0749805,-0.0375629,0.0283306,0.05
 699,0.005553,-0.0182147,-0.0101029,0.0297893,-0.0517122,-0.0415179,0.0
 134883,-0.1563162,0.0734526,-0.0160324,-0.0064148,-0.0277928,0.0867258
 ,0.0440659,0.0072863,0.0433173,-0.0115749,0.0330756,-0.0046078,-0.0331
 607,-0.0163579,0.0992883,0.0659158,-0.0086344,0.0671761,-0.0774568,0.0
 328533,-0.0365171,0.0081838,0.0034428,0.0214664,-0.0921482,-0.0003976,
 -0.0708029,-0.0240442,-0.0728358,-0.0133124,-0.0262516,0.0064781,0.074
 1841,0.0169627,-0.0950401,0.0052193,0.0164805,0.0177345,0.0524383,0.00
 7309,0.0218808,-0.0630692,0.0576587,-0.0176271,0.0309423,0.0738371\Pol
 ar=161.9541527,5.3945047,104.291144,-2.7738553,-3.0137403,109.1443273\
 Quadrupole=-0.0621974,0.5434934,-0.481296,2.4652155,-6.3152642,0.41694
 18\PG=C01 [X(C10H16O1)]\NImag=0\\0.56823278,-0.00121636,0.57243383,-0.
 00750965,-0.01770331,0.46281138,-0.07618074,-0.00114864,-0.01415391,0.
 38955900,-0.00052345,-0.08008247,-0.00667647,-0.00446632,0.52193307,-0
 .01163038,-0.01154162,-0.17718860,0.02199400,-0.00476664,0.48931589,0.
 00119293,-0.00056079,0.00425073,-0.07546329,0.02571503,0.00156745,0.49
 938519,0.00227016,-0.00156450,-0.00513933,0.03483493,-0.06130628,-0.00
 298285,0.03538676,0.34843059,0.02834924,-0.01285719,-0.01656936,0.0169
 9363,-0.00848385,-0.08432435,0.03018226,-0.07699011,0.57818377,0.00028
 331,-0.00031415,0.00051838,-0.03066181,0.00174071,0.00241943,-0.182300
 15,0.00018929,-0.07017834,0.71365088,0.00046559,0.00100005,0.00019969,
 0.00853027,0.00167239,0.01335451,0.00369461,-0.08256166,0.00484208,0.1
 1794524,0.24863155,0.00139638,-0.00066516,0.00102598,0.00774767,0.0032
 9875,0.01088484,-0.05817349,0.00297503,-0.12414906,-0.06911815,-0.1747
 6125,0.61655980,-0.00041645,0.00031124,-0.00095085,0.00462647,-0.00254
 877,-0.00526463,-0.04355833,-0.01245389,0.01517680,-0.37307694,-0.1075
 2229,0.14675174,0.67500783,-0.00035507,-0.00040930,-0.00032384,0.00305
 519,-0.00193529,-0.00228627,-0.00674105,0.01378177,0.00274425,-0.10977
 359,-0.10223450,0.07583919,0.12921892,0.20531205,0.00031309,0.00022871
 ,-0.00058254,-0.00254866,-0.00091974,-0.00133367,-0.00895695,-0.000816
 06,0.01171401,0.15261666,0.07662637,-0.19539807,-0.08692930,-0.1996851
 4,0.63002400,0.00053914,-0.00036465,0.00028426,-0.00262375,0.00087388,
 0.00259106,0.00752906,-0.00298215,-0.00134455,-0.04951225,-0.00675605,
 -0.00532035,-0.17400211,-0.00140590,-0.04357035,0.50168364,0.00000127,
 -0.00016147,-0.00029671,-0.00062927,-0.00127826,-0.00193364,-0.0046278
 5,0.01353851,0.00640420,-0.00657735,0.00394065,-0.00726601,-0.01458577
 ,-0.08142015,0.00479433,0.03356943,0.30211187,0.00040076,-0.00021539,0
 .00027128,-0.00188348,0.00022474,0.00190079,0.00781448,0.00740162,-0.0
 0416032,-0.00591665,-0.00785028,0.02134699,-0.00655570,0.01125638,-0.1
 1156215,0.04153400,-0.20643726,0.82978488,-0.00017927,0.00010142,-0.00
 002486,0.00071308,-0.00038638,-0.00060483,-0.00031181,0.00088073,-0.00
 067369,0.00179458,0.00105209,-0.00258378,-0.00377787,0.01199096,-0.044
 43078,-0.11050788,0.01098872,-0.05161370,0.10646043,0.00001132,-0.0001
 4995,0.00007431,-0.00030617,0.00029627,0.00049582,0.00213678,-0.001301
 43,-0.00154422,-0.00524394,-0.00113185,0.00222531,0.01344838,0.0154902
 9,0.01280593,0.00680195,-0.13289112,0.18492236,-0.00957080,0.10506737,
 -0.00045489,0.00010831,-0.00022187,0.00152899,-0.00043041,-0.00163347,
 -0.00494757,-0.00139129,0.00238008,0.01512409,0.00525057,-0.00712543,-
 0.04861655,0.01212850,-0.04054855,-0.03976508,0.18683042,-0.61883813,0
 .06683820,-0.22933737,0.70938643,-0.00038699,0.00455091,-0.00413694,-0
 .08493291,0.01646343,-0.01034387,-0.00997411,0.02326586,-0.01135295,0.
 00269764,0.00274483,0.00154563,-0.00179110,-0.00106704,-0.00008902,0.0
 0111078,-0.00041305,0.00070603,-0.00029873,0.00015448,-0.00058421,0.55
 595617,0.00049823,0.00119821,0.00463671,0.01592451,-0.16075822,0.04543
 931,0.00766093,-0.01576253,0.00212754,-0.00100566,-0.00029807,0.000044
 68,0.00001966,0.00006894,-0.00024038,-0.00006599,-0.00007377,-0.000083
 09,-0.00000511,-0.00002620,0.00008298,0.01638883,0.48370082,-0.0082428
 5,0.03297962,-0.02394286,-0.00995609,0.04553664,-0.09739621,0.00457078
 ,-0.00995880,0.00505460,-0.00177446,-0.00121247,-0.00164546,0.00147879
 ,0.00033472,0.00027431,-0.00098377,0.00025854,-0.00072826,0.00025911,-
 0.00014725,0.00059860,-0.00562941,0.03823400,0.55697102,-0.00698138,-0
 .00474219,-0.00528634,-0.08901857,-0.04319534,-0.01319820,-0.07397275,
 -0.00808458,0.00679749,-0.00546086,-0.00146555,0.00305416,-0.00040068,
 -0.00014900,-0.00085898,-0.00025416,-0.00024534,0.00001892,-0.00000547
 ,0.00003751,0.00004536,0.00543478,0.00157218,0.00141331,0.55888274,-0.
 00470686,-0.00401024,-0.00664593,-0.05490801,-0.10920682,-0.00249010,-
 0.01406257,-0.00659973,-0.00331918,-0.00059948,-0.00130193,0.00029074,
 -0.00022827,0.00026349,0.00000965,-0.00016065,0.00029982,0.00018614,0.
 00002460,-0.00004917,-0.00002007,-0.01781588,-0.02145018,-0.00423955,0
 .02207372,0.36225691,-0.02698714,-0.02256359,-0.00972398,-0.01598150,-
 0.00634098,-0.08027095,0.02019273,-0.00257186,0.00866711,0.00184336,0.
 00035302,-0.00171386,0.00066588,0.00003441,0.00080576,-0.00015546,0.00
 025268,-0.00042046,0.00005598,-0.00007973,0.00027023,0.01173253,0.0073
 7491,0.00209380,-0.01558410,-0.06510657,0.59229073,-0.00121432,-0.0003
 0847,0.00054765,-0.00653751,0.00319823,0.00405982,-0.07281857,-0.05276
 976,-0.00509217,-0.02222295,-0.02170109,0.00245400,0.00151767,0.000594
 47,-0.00299350,-0.00156798,0.00098005,0.00009350,0.00031866,-0.0002568
 0,0.00053045,-0.00138448,0.00015016,-0.00019638,-0.12430071,0.06428442
 ,0.01254912,0.35338284,-0.00040243,-0.00046410,-0.00107553,0.01292232,
 -0.07432823,-0.01585976,-0.04633119,-0.11237550,0.01465449,-0.00489490
 ,0.00383515,-0.00072703,0.00331787,-0.00094408,-0.00001922,-0.00068292
 ,-0.00085709,-0.00133300,0.00032385,-0.00013983,0.00068928,-0.00032775
 ,-0.00410054,-0.00205985,0.05475919,-0.08826549,-0.00302301,-0.0412161
 9,0.54733007,0.00010572,-0.00055022,0.00019416,0.00853567,-0.02844899,
 0.00407262,-0.00769720,0.01218200,-0.08074263,0.00097764,-0.01435746,0
 .00115538,-0.00419115,0.00081887,-0.00028039,0.00152685,0.00040197,0.0
 0225533,-0.00026850,0.00042596,-0.00115980,0.00006060,-0.00217983,-0.0
 0170151,0.00852558,-0.00632435,-0.08390383,0.03695668,0.02716565,0.601
 62635,-0.00005967,0.00002782,-0.00005152,0.00010338,-0.00025724,-0.000
 36264,-0.00075955,0.00002642,0.00118554,-0.00255821,0.00067988,-0.0035
 8204,-0.02674466,-0.01268250,0.01468556,-0.16683460,-0.02396569,0.0284
 3531,0.01348401,-0.00648358,0.01239837,-0.00014098,-0.00001993,0.00010
 908,-0.00009964,-0.00000460,0.00009150,-0.00008402,0.00016110,-0.00016
 569,0.52453233,0.00002336,0.00007857,0.00005246,0.00012645,0.00025745,
 0.00023894,0.00027851,-0.00254089,-0.00074310,0.00127444,0.00117697,0.
 00012322,-0.00459436,0.01444818,0.00387971,-0.02357421,-0.09285789,0.0
 0721972,-0.01344886,0.01413531,0.02596640,0.00005735,0.00004960,-0.000
 00233,0.00003849,-0.00006660,-0.00003386,-0.00005812,0.00034134,-0.000
 22870,-0.02251582,0.50835821,0.00000901,-0.00000300,0.00001221,-0.0002
 7955,0.00013812,0.00018513,0.00028900,-0.00126439,0.00032195,-0.005533
 11,-0.00009364,-0.00127290,-0.00814462,-0.00005323,0.01276835,0.027265
 65,0.00706495,-0.09280022,0.03208149,0.02934612,-0.04201717,0.00007992
 ,-0.00000142,-0.00005132,-0.00003923,-0.00004764,0.00003137,-0.0002871
 8,0.00007535,-0.00003656,0.06981273,0.00333697,0.53825336,-0.00200156,
 -0.00106973,0.00102228,-0.00694625,0.00230365,-0.01295686,0.00022957,-
 0.00005587,0.00022093,-0.00016289,-0.00020654,0.00041846,-0.00022684,-
 0.00003457,-0.00000538,0.00017487,0.00002199,0.00006636,-0.00006859,0.
 00000275,-0.00004358,0.00141611,0.00110269,-0.00092326,-0.10796437,0.0
 1872072,-0.10548816,-0.00985042,0.00427270,-0.01918407,-0.00003144,-0.
 00001536,0.00001493,0.11553940,-0.00412553,-0.00346844,-0.00015340,-0.
 01166933,0.00381888,-0.02436803,-0.00010328,-0.00070571,0.00011749,0.0
 0005665,0.00026040,0.00018021,0.00006109,-0.00007589,-0.00005025,-0.00
 005984,-0.00009115,-0.00008230,0.00002568,0.00002801,0.00004892,0.0005
 8565,0.00185272,-0.00111617,0.01864065,-0.05036172,0.03828136,0.011280
 73,-0.00589803,0.02174591,0.00000956,0.00002683,0.00000727,-0.02169997
 ,0.05585522,-0.00201940,-0.00160220,0.00064364,-0.00247266,0.00094581,
 -0.00821455,-0.00011743,-0.00012407,-0.00057280,-0.00005617,-0.0000072
 9,0.00020316,-0.00017867,-0.00002427,-0.00005649,0.00017786,-0.0000109
 8,0.00005283,-0.00006987,0.00001498,-0.00002766,0.00087412,0.00150039,
 0.00070993,-0.10641698,0.03792676,-0.24438298,0.00335645,-0.00080496,0
 .00571548,-0.00003343,-0.00000813,0.00001642,0.11700339,-0.03983576,0.
 26168342,0.00159489,0.00016538,0.00127784,-0.00972651,-0.00142137,0.00
 894192,-0.00613131,-0.00034852,-0.00161000,-0.00024586,-0.00056772,0.0
 0144736,-0.00087908,-0.00001960,-0.00042945,0.00040669,-0.00006706,0.0
 0043702,-0.00017681,0.00006542,-0.00030628,-0.00112323,0.00016911,-0.0
 0039710,-0.15671498,-0.04344588,0.12212390,-0.01082430,-0.00667494,0.0
 1265293,-0.00010274,-0.00001221,-0.00001245,0.01169377,0.00408191,-0.0
 1099987,0.17181997,0.00099740,0.00195998,0.00164077,-0.01014546,-0.003
 91281,0.01919169,-0.00037238,-0.00046832,-0.00057965,0.00000487,0.0013
 1874,0.00056214,-0.00012701,-0.00019669,-0.00009325,0.00014644,-0.0003
 1809,-0.00002094,-0.00003205,0.00005202,-0.00005679,-0.00250446,-0.000
 84271,-0.00048084,-0.04412537,-0.06828323,0.04800374,0.00941303,0.0071
 3982,-0.01723573,-0.00002033,0.00005584,0.00002292,-0.00328382,-0.0009
 7671,0.00336184,0.04845467,0.06486567,-0.00065885,-0.00019922,0.000927
 59,-0.00572405,-0.00251732,0.00588692,-0.00079848,0.00001970,0.0008462
 2,-0.00056187,0.00021056,0.00017677,0.00016715,-0.00003788,-0.00000083
 ,-0.00018282,-0.00009393,-0.00012865,0.00008382,-0.00000403,0.00008154
 ,-0.00015169,0.00001195,-0.00030674,0.12308944,0.04814031,-0.18358098,
 -0.00171088,0.00077712,-0.00146937,0.00002426,0.00002681,0.00000030,0.
 01833083,0.00721132,-0.01896811,-0.13259912,-0.05339027,0.19401015,-0.
 00322865,0.00089903,0.00023913,-0.00200981,-0.00341122,0.01847505,-0.0
 5073764,-0.00680353,0.01646800,-0.00059430,0.00892662,-0.03267765,0.00
 137188,0.00095686,-0.00131295,0.00042841,0.00023059,-0.00028750,-0.000
 62380,-0.00020698,0.00030840,0.00139889,-0.00039824,0.00133868,0.00055
 330,0.00032299,-0.00069084,-0.00071407,-0.00440066,0.01350480,0.000015
 50,-0.00004778,0.00012598,-0.00066449,-0.00009945,-0.00003133,-0.00000
 263,0.00013420,-0.00039095,0.06020471,0.00373262,-0.00181299,-0.001068
 08,0.00246915,0.00336900,-0.02017755,-0.00631211,-0.06175418,0.0669349
 0,0.00097779,0.00063693,0.00107112,-0.00044715,-0.00086372,-0.00086894
 ,0.00023022,-0.00027021,0.00001002,-0.00008578,0.00009204,-0.00015969,
 -0.00045186,0.00097238,-0.00107820,0.00037856,-0.00064193,-0.00013982,
 -0.00223046,-0.01062912,0.02805572,-0.00000834,0.00010229,0.00005803,-
 0.00022228,0.00044017,0.00001529,-0.00011212,0.00003904,-0.00010640,0.
 00528133,0.06989126,0.00285384,-0.00077264,0.00068115,0.00159015,0.001
 84569,-0.01537813,0.01287207,0.06671070,-0.28371649,0.00017880,0.00487
 084,-0.01639900,0.00149197,-0.00030993,0.00124330,0.00000812,0.0000898
 0,0.00005082,-0.00005509,-0.00018829,0.00042228,-0.00189149,0.00151759
 ,0.00074541,-0.00023139,-0.00026028,-0.00008572,-0.00013058,0.00027573
 ,0.00014256,-0.00005209,-0.00000945,0.00004159,0.00032103,0.00008802,0
 .00022639,0.00028940,-0.00004913,0.00006742,-0.01465810,-0.07230676,0.
 30781172,0.00030329,0.00018709,-0.00026111,-0.00134127,-0.00002164,0.0
 0006064,0.00342102,-0.01179352,0.02075858,0.00176906,0.00095743,0.0014
 2797,0.00003274,-0.00005131,0.00005577,-0.00011054,-0.00002482,-0.0000
 9581,0.00003822,0.00002176,-0.00002155,0.00040962,0.00016582,-0.000003
 25,-0.00783031,0.01420991,-0.02538767,-0.05582081,0.02948657,-0.048839
 75,0.00003195,0.00002026,-0.00000165,-0.00341199,0.00451694,0.00121534
 ,0.00176185,-0.00171465,-0.00014255,-0.00203635,-0.00428862,0.00008543
 ,0.06222980,0.00025972,-0.00081151,0.00030431,-0.00005668,0.00070029,-
 0.00012338,0.00314008,-0.01163342,0.01968496,0.00158138,0.00182538,0.0
 0130205,-0.00033313,0.00001985,-0.00037223,0.00003428,-0.00009842,0.00
 012155,-0.00000432,0.00003237,-0.00015447,-0.00002675,-0.00011776,-0.0
 0006422,0.00332724,-0.00668200,0.01107445,0.02947803,-0.11575580,0.109
 19091,0.00000019,0.00001731,-0.00001032,0.00073519,-0.00184708,-0.0007
 7752,-0.00002671,0.00158698,-0.00002282,-0.00121482,-0.00356033,-0.000
 56750,-0.03180095,0.12429539,-0.00001936,-0.00025102,-0.00070821,0.000
 06002,0.00008380,-0.00035853,0.00106531,0.00227139,-0.00426103,-0.0013
 8522,-0.00056952,0.00091807,0.00038635,-0.00015147,0.00014299,-0.00016
 745,0.00002683,-0.00022234,0.00008510,-0.00009361,0.00017948,-0.000038
 39,0.00010609,-0.00001316,0.00058624,-0.00320856,0.00464742,-0.0487968
 1,0.10988150,-0.23275329,0.00001702,0.00001836,0.00001419,0.00079677,-
 0.00093413,0.00094257,-0.00025995,0.00044101,0.00120501,0.00041956,0.0
 0074112,0.00110601,0.05189495,-0.12055273,0.24920014,0.00018022,0.0001
 5828,-0.00009551,-0.00221339,0.00095524,0.00028103,-0.00113941,-0.0080
 4976,-0.01813437,0.00156893,-0.00202740,0.00020232,-0.00144073,0.00039
 255,0.00024612,0.00051716,0.00013870,0.00058593,-0.00015612,0.00008173
 ,-0.00032357,0.00131110,0.00036018,0.00009751,0.00371578,0.01176969,0.
 02138103,-0.05020157,-0.00151346,-0.00168422,-0.00007059,-0.00009091,-
 0.00000830,0.00190703,-0.00162170,-0.00057574,-0.00161458,0.00207349,0
 .00070873,0.00122612,0.00144553,0.00019221,0.00023153,-0.00441051,-0.0
 0530098,0.04589075,0.00004485,0.00000370,0.00058083,0.00122370,-0.0057
 8872,0.00047212,-0.00064970,-0.01171692,-0.01596754,0.00199215,-0.0014
 6993,0.00071719,-0.00145219,0.00010539,-0.00011823,0.00072937,0.000017
 48,0.00060962,-0.00020414,0.00012503,-0.00040437,0.00001677,-0.0004529
 3,-0.00110439,-0.00112003,-0.00803731,-0.00865875,-0.00134745,-0.14621
 670,-0.13001718,-0.00008081,-0.00006613,0.00002174,0.00001227,0.001198
 79,0.00023758,0.00014362,-0.00092322,-0.00011749,0.00011034,0.00154849
 ,0.00032444,0.00011691,0.01172912,0.01308501,0.00055168,0.15997072,-0.
 00005889,0.00041313,0.00000809,0.00011490,0.00047016,0.00106604,0.0014
 0011,0.00504221,0.00489703,-0.00088581,0.00029888,-0.00015638,0.000155
 28,-0.00009391,0.00000785,0.00009816,-0.00002666,-0.00007385,-0.000083
 29,0.00001698,0.00002704,-0.00019783,0.00027807,-0.00010403,-0.0009735
 6,0.00188014,-0.00062111,-0.00195630,-0.13042887,-0.21486479,-0.000025
 76,-0.00000945,-0.00000196,0.00008672,-0.00005529,0.00121082,0.0002022
 7,-0.00055669,0.00005985,-0.00016535,-0.00045230,0.00115169,-0.0003431
 5,-0.01679722,-0.02056276,0.00236187,0.14034504,0.22732110,-0.05514029
 ,0.04039978,-0.02066770,-0.00252915,0.00261399,-0.00103190,0.00026856,
 -0.00040993,0.00006144,-0.00023220,-0.00046535,0.00059497,0.00005518,0
 .00017222,-0.00015272,-0.00015279,-0.00007704,0.00003564,0.00011937,0.
 00002593,-0.00004455,0.00026939,-0.00030432,-0.00095024,0.00029853,0.0
 0069105,-0.00021448,0.00027329,0.00012358,-0.00010859,0.00003459,0.000
 01380,-0.00003007,-0.00008545,-0.00005586,0.00024491,-0.00046683,-0.00
 000072,-0.00004164,-0.00006999,-0.00002139,-0.00010898,0.00024221,-0.0
 0000555,0.00010952,-0.00005998,-0.00005605,0.00004801,0.05615286,0.040
 14195,-0.24846516,0.10190593,-0.00124207,0.00399466,-0.00187678,0.0001
 8241,0.00007864,0.00042769,0.00088625,-0.00044436,0.00056523,-0.000291
 28,0.00011214,-0.00033868,0.00003634,-0.00010340,0.00018786,0.00004463
 ,0.00005826,-0.00017695,-0.00011622,0.00092378,-0.00015545,-0.00033883
 ,0.00033006,-0.00006889,0.00006310,-0.00020989,-0.00027986,0.00001512,
 0.00001193,-0.00002081,0.00015906,0.00009323,0.00002045,0.00020541,0.0
 0017114,0.00003617,-0.00014034,0.00014048,0.00004704,-0.00007772,-0.00
 010958,-0.00081107,-0.00004704,0.00013506,0.00000076,-0.04541612,0.270
 19729,-0.02044053,0.09960708,-0.09833153,-0.00612682,0.02992572,-0.013
 60245,0.00023386,0.00047686,0.00085539,-0.00000051,-0.00017241,-0.0004
 4632,-0.00002176,-0.00006595,0.00027268,0.00017693,0.00007720,0.000051
 16,-0.00009870,-0.00002174,-0.00004286,-0.00053651,-0.00257298,-0.0064
 7261,0.00050778,0.00078233,0.00100504,-0.00013730,0.00037859,-0.000629
 53,-0.00003313,-0.00001201,0.00000929,0.00002413,0.00013297,0.00035989
 ,-0.00039329,-0.00039738,0.00017306,-0.00008954,0.00008317,0.00019662,
 0.00018905,-0.00082638,0.00011100,0.00008459,-0.00023350,0.00031966,0.
 02314955,-0.11100414,0.10861765,-0.22908143,0.08322069,0.08365497,0.00
 179588,-0.00123534,-0.00095369,0.00119847,-0.00118359,-0.00152026,-0.0
 0006314,0.00034877,-0.00033375,-0.00001834,0.00002087,0.00012185,0.000
 36589,0.00006849,0.00006302,-0.00018310,0.00001896,-0.00004977,0.00030
 726,-0.00014279,-0.00041676,0.00111437,0.00028798,0.00027229,0.0002212
 3,0.00002842,-0.00017317,-0.00005809,-0.00003450,0.00002544,0.00014810
 ,0.00016008,0.00004212,0.00018382,0.00033232,0.00031378,0.00016413,-0.
 00011575,0.00002826,-0.00004215,-0.00004294,-0.00001325,0.00008788,0.0
 0010915,-0.00002510,-0.00444311,0.00166237,0.00127496,0.24747030,0.083
 26783,-0.08543877,-0.03809759,0.00301614,-0.00308882,-0.00224262,-0.00
 034077,0.00089054,-0.00055408,-0.00017567,-0.00010161,0.00016782,0.000
 22981,0.00013623,-0.00017997,-0.00019686,0.00003555,-0.00010146,0.0000
 8751,0.00000019,0.00010463,-0.00058839,0.00027900,0.00069518,0.0008775
 8,0.00053195,0.00014326,0.00027193,-0.00016604,0.00035751,0.00003108,-
 0.00000504,-0.00001350,-0.00014206,-0.00002229,0.00014038,-0.00039844,
 -0.00033222,0.00012733,0.00014724,-0.00014413,-0.00019332,-0.00007423,
 0.00019650,-0.00018516,-0.00002382,0.00013916,-0.00011268,0.02397296,-
 0.01066953,-0.01159839,-0.09270152,0.08890875,0.08270394,-0.03800108,-
 0.08327515,0.02852513,-0.01407042,-0.01587507,-0.00130105,0.00110668,-
 0.00595437,-0.00159763,0.00050414,-0.00054852,0.00061586,0.00014752,0.
 00025331,-0.00032075,0.00012285,-0.00025633,0.00010632,-0.00006580,0.0
 0024567,0.00106618,-0.00094576,0.00137685,0.00072028,0.00096827,0.0014
 4663,0.00018686,0.00067469,0.00039630,0.00004456,-0.00001528,-0.000006
 65,-0.00004832,0.00009786,0.00013007,-0.00066970,-0.00038565,0.0004107
 3,0.00111959,-0.00139193,-0.00089652,-0.00009590,-0.00016787,0.0000514
 8,-0.00019266,-0.00002699,0.00009861,-0.01271910,0.00463036,0.00561557
 ,-0.09177547,0.04279509,0.09409223,-0.19715956,-0.12203908,-0.03925740
 ,-0.00322077,-0.00196577,-0.00071918,0.00046541,-0.00005744,-0.0004431
 4,-0.00008176,0.00016401,-0.00008453,0.00013585,0.00017234,0.00009071,
 -0.00015696,0.00011577,0.00001498,0.00009977,-0.00003190,0.00002406,0.
 00004824,-0.00013465,0.00046459,0.00090989,0.00099877,-0.00052248,0.00
 014138,0.00010235,-0.00008992,0.00002796,-0.00001751,-0.00001777,0.000
 06760,-0.00022118,-0.00017736,0.00028059,0.00031476,0.00003620,0.00009
 702,-0.00009148,-0.00010883,0.00003114,-0.00007388,0.00006767,0.000172
 74,-0.00012333,0.00002816,0.00499552,0.00420555,0.00206838,-0.01978210
 ,-0.01691810,-0.00537012,0.21268183,-0.12129419,-0.14654493,-0.0315274
 6,-0.00231354,-0.00393612,-0.00135024,-0.00028618,0.00009536,0.0002007
 4,-0.00036540,0.00020398,-0.00067775,0.00017613,0.00011084,0.00022430,
 0.00027168,0.00013505,-0.00013501,-0.00015683,0.00003464,0.00015050,0.
 00065702,0.00043841,0.00047020,-0.00016780,0.00140237,-0.00102985,-0.0
 0021674,-0.00007027,0.00042153,-0.00003449,-0.00005951,0.00004260,-0.0
 0004282,-0.00034734,-0.00034458,0.00024082,0.00013560,0.00007622,0.000
 14742,-0.00000368,0.00001790,-0.00007427,0.00018651,-0.00012037,-0.000
 00771,0.00009578,-0.00010471,-0.02167370,-0.01711606,-0.00592975,0.009
 98161,0.00861107,0.00352858,0.13486640,0.15677816,-0.03828542,-0.03089
 801,-0.05749235,-0.02608081,-0.02162849,-0.00699513,-0.00001782,0.0003
 6230,0.00177655,0.00023586,-0.00033456,-0.00013801,0.00015076,0.000145
 38,0.00008752,0.00026942,-0.00005295,0.00009947,-0.00008294,0.00002678
 ,-0.00013802,-0.00020218,-0.00119638,0.00149525,-0.00086936,0.00120075
 ,-0.00637730,-0.00036258,0.00039965,0.00032847,-0.00001545,-0.00000184
 ,0.00000769,-0.00079498,-0.00177770,-0.00062847,-0.00003278,0.00024546
 ,0.00011948,-0.00009821,0.00017596,0.00006117,0.00017546,-0.00014687,-
 0.00001242,0.00019436,0.00001201,0.00003050,0.01169683,0.00813896,0.00
 256077,0.00898161,0.00870749,0.00206025,0.04417294,0.03587041,0.063214
 11,0.00021627,0.00019075,0.00017540,0.00482983,0.00404037,0.00104922,0
 .00060734,-0.00083373,0.00037630,0.00000485,-0.00021071,-0.00025253,0.
 00024164,0.00000066,0.00008653,-0.00027488,0.00006591,-0.00013673,0.00
 009296,-0.00001965,0.00011860,-0.19578300,-0.12311164,-0.03000665,0.00
 126154,0.00197677,-0.00081743,0.00025210,-0.00021792,0.00013324,0.0000
 4221,-0.00001096,-0.00001712,0.00003527,0.00017193,0.00011808,0.000059
 13,0.00027002,0.00010485,0.00005362,-0.00016887,0.00006175,0.00011694,
 -0.00012619,-0.00002660,-0.00004647,-0.00005848,0.00002998,0.00016590,
 0.00011490,0.00018833,-0.00007870,-0.00010147,-0.00007287,0.00023960,0
 .00000068,0.00031343,0.21077333,-0.00050717,0.00092033,-0.00142926,-0.
 02466262,-0.02077789,-0.00478042,0.00020268,0.00107645,-0.00044440,-0.
 00004963,-0.00004044,-0.00007652,0.00023026,0.00015371,0.00009987,0.00
 013696,0.00000061,0.00001159,-0.00005415,0.00003123,-0.00004776,-0.122
 48323,-0.14763845,-0.02467928,0.00195328,-0.00268667,0.00377544,-0.000
 76719,-0.00032816,-0.00026660,-0.00000559,-0.00002290,0.00000253,0.000
 26024,0.00046445,0.00017609,-0.00028942,-0.00114520,-0.00010519,0.0002
 9248,-0.00007112,-0.00034538,0.00020720,-0.00001113,0.00001340,0.00042
 287,-0.00016243,-0.00008308,0.00038809,0.00021916,-0.00018964,0.000101
 74,0.00001056,0.00008231,0.00047415,0.00040451,0.00079037,0.13618401,0
 .16319742,0.00097135,0.00025428,0.00088548,0.01249755,0.00873770,0.001
 10625,-0.00023648,-0.00021975,0.00044261,-0.00013107,-0.00001696,0.000
 09135,-0.00002316,0.00000124,0.00003115,0.00001066,0.00000306,0.000069
 09,-0.00001058,0.00000286,-0.00009406,-0.03054874,-0.02488508,-0.05394
 540,-0.00144960,0.00156786,-0.00108635,0.00018245,0.00025800,0.0002564
 8,0.00000271,-0.00000391,-0.00001170,0.00022103,0.00006577,0.00028704,
 0.00022741,0.00003787,0.00022589,-0.00013028,-0.00009072,-0.00005146,0
 .00007450,0.00000895,-0.00003521,-0.00022426,0.00009970,0.00003726,-0.
 00011174,-0.00026378,0.00015266,0.00003271,0.00004871,-0.00005867,-0.0
 0037989,0.00010542,-0.00021715,0.03398378,0.02549134,0.05425608,0.0000
 7299,-0.00043300,0.00055813,-0.00660967,0.00268694,0.00248388,0.001665
 35,0.00002053,-0.00129921,0.00036355,0.00002555,0.00026049,-0.00022782
 ,-0.00004787,-0.00005769,0.00030461,-0.00004045,0.00017005,-0.00013221
 ,0.00003396,-0.00017149,-0.22300613,0.08527335,0.08207980,0.00037757,0
 .00063001,-0.00019959,0.00008469,0.00041499,0.00004516,-0.00004809,-0.
 00001086,0.00000673,0.00009600,0.00018110,-0.00001324,0.00023168,0.000
 28387,0.00007494,0.00011682,-0.00025878,-0.00011841,0.00007546,0.00015
 187,-0.00003306,0.00006462,0.00018442,-0.00001949,0.00034516,-0.000184
 26,-0.00016508,0.00036420,0.00003070,-0.00068900,-0.00010379,0.0000674
 4,0.00003163,-0.02000179,0.01008492,0.00965768,0.24163225,0.00001304,0
 .00087633,-0.00146859,0.02632794,-0.01277483,-0.01172647,0.00167265,-0
 .00362750,0.00366290,-0.00104492,-0.00102017,-0.00078235,0.00095619,0.
 00032667,0.00017651,-0.00062591,0.00018324,-0.00038171,0.00019094,-0.0
 0008206,0.00031830,0.08530352,-0.08750114,-0.03987384,-0.00073672,0.00
 113606,-0.00037962,0.00044344,-0.00000624,-0.00039797,0.00008236,-0.00
 001713,-0.00003874,-0.00033559,-0.00013897,-0.00027169,-0.00012323,-0.
 00019370,0.00010572,-0.00022160,0.00028999,0.00031655,-0.00014475,0.00
 000213,0.00005059,-0.00031686,-0.00021742,0.00000890,-0.00043722,0.000
 11732,-0.00015029,-0.00038194,0.00033684,0.00074768,-0.00009831,0.0000
 0513,0.00012399,-0.01694710,0.00907970,0.00887751,-0.09649985,0.095554
 80,-0.00084609,0.00020141,0.00100490,-0.01289218,0.00497137,0.00438232
 ,-0.00066971,0.00228173,-0.00139215,0.00040454,0.00012393,0.00051646,-
 0.00027935,-0.00019495,-0.00009294,0.00011883,-0.00007424,0.00011540,-
 0.00000197,0.00002424,-0.00007344,0.08261920,-0.03982397,-0.08577557,0
 .00034572,-0.00042122,0.00045013,-0.00018214,-0.00001676,0.00026119,-0
 .00001054,0.00001433,0.00001315,0.00013309,-0.00011917,-0.00009282,0.0
 0006763,-0.00005676,0.00001199,-0.00018291,0.00007773,0.00047786,-0.00
 011458,-0.00007759,0.00001683,0.00017282,0.00010812,-0.00000141,0.0001
 2153,-0.00020170,0.00018363,0.00017240,0.00019657,-0.00015330,-0.00005
 630,0.00000446,-0.00006342,-0.00475706,0.00279922,0.00150551,-0.091054
 56,0.04247550,0.09010057,-0.00005386,0.00128106,-0.00017877,-0.0027378
 3,-0.00066596,-0.00607849,0.00041552,-0.00030278,-0.00140178,-0.000147
 15,-0.00010879,0.00015418,0.00008156,0.00006953,-0.00008018,-0.0000577
 7,-0.00000535,-0.00005562,0.00003921,-0.00000983,0.00008727,-0.0514322
 3,-0.00408464,-0.03253726,0.00025400,-0.00019106,0.00095273,0.00000439
 ,-0.00007474,0.00002878,0.00000767,-0.00000125,0.00000588,-0.00001585,
 -0.00010288,0.00004429,0.00003553,-0.00002327,-0.00004023,-0.00033624,
 0.00027212,0.00041449,-0.00011638,-0.00005981,0.00003546,0.00000867,0.
 00001063,0.00001136,0.00055887,0.00006722,-0.00047774,0.00025571,-0.00
 010433,-0.00034428,0.00022234,0.00011893,0.00039676,-0.00284315,-0.002
 18118,-0.02465604,0.00436602,0.00277941,0.02685842,0.05146526,0.001125
 54,-0.00517840,0.00182858,0.00394654,0.00173436,0.02913256,-0.00088705
 ,0.00105720,0.00109918,0.00014956,0.00009079,-0.00012466,-0.00011318,0
 .00004365,-0.00004230,0.00011881,0.00000115,0.00007310,-0.00004071,0.0
 0001456,-0.00005715,-0.00443755,-0.05046030,-0.03234050,0.00070850,0.0
 0158230,0.00087759,0.00005216,0.00035821,0.00026181,-0.00001509,-0.000
 00749,0.00000546,-0.00044106,-0.00009528,-0.00054246,-0.00006462,0.000
 11684,-0.00021461,0.00024695,0.00004112,-0.00058382,-0.00004708,0.0000
 4977,-0.00004506,-0.00002938,0.00007221,-0.00002690,0.00031529,0.00019
 025,0.00183413,-0.00019381,-0.00008077,-0.00009079,0.00023722,0.000020
 72,-0.00003665,-0.00120155,-0.00260368,-0.02007515,-0.00262346,-0.0022
 6375,-0.01235902,0.00330549,0.05533272,-0.00064995,0.00421668,-0.00004
 077,-0.00159770,-0.00215446,-0.01571306,0.00056984,-0.00065870,0.00004
 358,-0.00005465,-0.00014495,0.00026863,-0.00009561,-0.00001154,-0.0000
 6412,0.00012273,-0.00001525,-0.00000816,-0.00003050,0.00001086,0.00003
 675,-0.03297330,-0.02960366,-0.29732604,-0.00040215,-0.00082313,0.0001
 7142,0.00014179,-0.00025599,0.00052396,-0.00001960,-0.00000490,0.00002
 273,0.00065166,0.00057750,0.00076229,0.00012381,-0.00022035,0.00023293
 ,-0.00046247,0.00028411,0.00101593,0.00008439,-0.00027203,0.00005736,-
 0.00002882,0.00011689,0.00002643,-0.00019170,-0.00008276,-0.00111465,-
 0.00001839,-0.00008915,0.00048000,0.00003641,-0.00014636,0.00028515,-0
 .00062764,-0.00070091,-0.00376651,-0.00146978,-0.00141826,-0.01145244,
 0.03678486,0.03145431,0.32543124,-0.00049276,0.00074573,-0.00002769,0.
 00100142,-0.00018066,-0.00040473,-0.00011200,0.00828089,-0.02622536,-0
 .05827686,0.00517291,-0.02121155,0.00547255,-0.01041182,0.02758418,0.0
 0029630,0.00040980,0.00286569,-0.00001556,0.00060063,-0.00183854,0.000
 01631,0.00003925,0.00014084,0.00031649,0.00011792,0.00010883,0.0012523
 6,0.00079794,-0.00037230,0.00028957,0.00009912,-0.00061510,0.00016215,
 -0.00002162,0.00011339,-0.00002965,-0.00005384,0.00008316,-0.00446046,
 -0.00013609,-0.00211349,-0.00007791,-0.00068220,0.00063945,0.00013394,
 -0.00009753,0.00024169,-0.00064981,-0.00003286,0.00072810,0.00013585,-
 0.00024267,0.00013742,-0.00014553,0.00016881,0.00023827,0.00000012,0.0
 0001824,-0.00000580,-0.00005717,0.00007789,0.00007486,0.00007009,-0.00
 011693,0.00015847,0.05878774,0.00024676,-0.00001331,0.00026957,-0.0010
 5442,0.00065815,-0.00027042,-0.00138418,0.00242930,0.00073017,0.004481
 22,-0.07604170,0.08508002,-0.00082690,0.00392289,0.01272860,0.00177432
 ,-0.00707770,-0.00118047,0.00054149,0.00077798,-0.00079832,-0.00009602
 ,-0.00003125,0.00005201,-0.00004009,0.00000551,-0.00015082,0.00113946,
 0.00126433,-0.00061905,-0.00013833,0.00076977,0.00017094,-0.00003260,-
 0.00002362,0.00002473,0.00004579,0.00002263,0.00002561,-0.00037090,0.0
 0184109,0.00003767,0.00021759,0.00000411,0.00016935,-0.00011175,-0.000
 03786,-0.00002590,0.00012703,0.00026966,-0.00008551,-0.00022059,0.0000
 0669,-0.00011697,0.00021791,-0.00044290,-0.00013319,0.00000868,-0.0000
 2100,0.00002117,0.00001715,0.00001758,0.00005650,0.00001056,-0.0000224
 5,-0.00004138,-0.00171062,0.06328376,0.00075882,-0.00031955,-0.0003746
 1,-0.00014071,0.00003190,-0.00075519,-0.00092820,0.00446708,-0.0092623
 1,-0.01737976,0.08654051,-0.29246661,0.00088266,0.00800288,-0.01309354
 ,-0.00086314,-0.00195840,-0.00302984,-0.00175994,-0.00070775,0.0015440
 4,-0.00013298,0.00001642,0.00005424,0.00011923,-0.00001275,0.00031356,
 0.00085345,0.00027612,0.00044428,0.00009963,0.00031358,0.00005215,0.00
 012721,-0.00006245,-0.00001010,-0.00007304,-0.00002336,0.00000488,-0.0
 0167966,0.00036419,0.00037336,-0.00054402,-0.00063274,0.00031744,0.000
 03001,-0.00007687,0.00009966,0.00034157,-0.00057980,0.00011958,0.00029
 053,-0.00008144,0.00033612,0.00027312,0.00023217,-0.00002932,0.0000118
 4,0.00000125,-0.00001554,-0.00002722,0.00008360,0.00004096,0.00004452,
 -0.00001820,0.00010578,0.01852997,-0.09944417,0.31424835,-0.00001559,-
 0.00006415,0.00009753,-0.00003086,-0.00020973,-0.00016488,0.00149929,0
 .00106003,0.00225088,0.00274061,-0.01036543,0.02774252,-0.05722616,-0.
 00120267,-0.00713554,0.00732852,0.00963901,-0.02320150,-0.00667325,0.0
 0011023,-0.00513577,-0.00002705,-0.00003266,0.00000066,-0.00008732,0.0
 0001401,0.00003072,0.00005266,-0.00007524,-0.00015163,-0.00017422,-0.0
 0020879,0.00056347,-0.00002220,0.00000507,-0.00001269,0.00000849,-0.00
 001542,-0.00002191,-0.00011350,0.00015745,-0.00085041,0.00007405,0.000
 15435,-0.00012838,-0.00001904,0.00000375,-0.00003793,0.00002892,0.0000
 8979,-0.00008955,-0.00003753,0.00006252,-0.00004580,0.00001922,-0.0000
 3430,-0.00001358,0.00001406,0.00003242,0.00003252,0.00003302,0.0000162
 5,-0.00002539,-0.00003932,0.00001215,-0.00003595,-0.00391029,-0.002890
 22,0.00107286,0.05730392,0.00004117,0.00009937,0.00010371,0.00020247,0
 .00075560,0.00039648,0.00262288,-0.00710342,-0.00211423,-0.00066190,0.
 00144027,0.01102878,-0.00090415,-0.06825280,0.09008429,-0.00112553,-0.
 00029759,-0.00066590,-0.00021709,0.00272658,0.00060619,0.00014684,0.00
 005344,-0.00003781,0.00005033,-0.00015750,-0.00002257,-0.00043590,0.00
 044906,-0.00004983,-0.00017525,-0.00013351,-0.00019407,-0.00000741,0.0
 0001164,-0.00000957,0.00000560,0.00011933,0.00003756,-0.00036662,0.000
 36043,-0.00054534,-0.00000260,-0.00003116,0.00003171,-0.00008127,-0.00
 004457,0.00001851,0.00007621,0.00006709,-0.00003199,-0.00008904,-0.000
 03751,-0.00013143,-0.00009717,-0.00013438,-0.00000186,-0.00001818,-0.0
 0006506,-0.00003622,0.00000383,-0.00008861,0.00000995,0.00000378,0.000
 00669,-0.00001576,-0.00300667,0.00856542,0.00362266,0.00390620,0.06202
 502,-0.00005811,0.00011100,-0.00001256,0.00015696,0.00023162,0.0002816
 4,-0.00108321,-0.00311896,-0.00004510,-0.00153448,0.00610221,-0.012386
 91,-0.00717670,0.09029635,-0.29364727,0.00684273,0.00466394,-0.0099440
 2,-0.00416965,0.00073992,-0.00120641,0.00013588,0.00014030,0.00000639,
 0.00006844,-0.00003555,-0.00002363,-0.00011278,0.00007172,0.00025154,0
 .00048072,-0.00019852,0.00062227,0.00001186,-0.00000240,0.00001529,-0.
 00000372,0.00003882,0.00000923,0.00085579,-0.00002106,0.00071857,-0.00
 017742,-0.00012703,0.00001821,0.00004202,0.00001524,0.00001872,-0.0000
 2509,-0.00008942,0.00004056,0.00001280,-0.00003646,0.00002352,-0.00004
 836,0.00002283,-0.00002180,-0.00004058,-0.00008599,-0.00006834,-0.0000
 4184,-0.00006947,0.00002090,0.00003569,-0.00000100,0.00002927,0.001393
 11,0.00358750,0.00101472,0.00492079,-0.10178928,0.31373451,0.00000248,
 -0.00000597,-0.00001315,0.00004022,-0.00006837,-0.00011899,-0.00028469
 ,0.00058134,0.00019679,0.00077183,0.00020306,-0.00046387,-0.00050671,-
 0.00282060,-0.00118610,0.00115236,0.01880096,0.02032754,-0.00220180,-0
 .00432638,0.00148016,-0.00003664,-0.00000641,0.00002377,-0.00000687,0.
 00001739,0.00000466,0.00007886,-0.00003393,0.00002056,-0.05198532,0.01
 726669,0.02342332,-0.00000381,-0.00000495,-0.00000412,0.00000032,-0.00
 001472,-0.00000542,-0.00003222,-0.00001014,-0.00003005,0.00000139,-0.0
 0000153,-0.00000442,-0.00000245,-0.00001228,-0.00000158,0.00000614,0.0
 0000414,-0.00000041,-0.00000212,0.00000286,0.00000264,0.00000681,-0.00
 000540,-0.00000133,0.00000654,0.00000302,0.00000553,0.00000134,0.00001
 592,-0.00000963,-0.00000518,-0.00000071,-0.00000875,0.00023054,-0.0001
 4449,-0.00003909,-0.00068147,0.00020784,-0.00024295,0.04936315,-0.0000
 1553,-0.00001208,-0.00000516,0.00001161,-0.00002493,-0.00002540,-0.000
 04697,0.00024479,0.00000817,0.00026788,0.00001052,0.00027009,0.0001138
 9,-0.00041264,-0.00113502,-0.00072122,0.00712327,0.01076747,-0.0012996
 1,-0.00296375,0.00120838,-0.00001612,-0.00001023,-0.00000045,-0.000001
 66,0.00000679,0.00000205,0.00003008,-0.00002057,0.00001461,0.01506575,
 -0.12004132,-0.12074648,0.00000332,-0.00000197,0.00000191,-0.00000118,
 -0.00000624,-0.00000076,0.00000651,-0.00001158,0.00001393,-0.00000447,
 -0.00000299,0.00000561,0.00000172,0.00000281,-0.00000336,0.00000189,0.
 00000088,0.00000088,0.00000144,0.00000384,0.00000438,0.00000397,0.0000
 0404,0.00000025,0.00000210,0.00000190,-0.00000486,-0.00000165,0.000004
 49,0.00000101,0.00000674,0.00000389,0.00000577,-0.00000341,-0.00013502
 ,0.00002482,0.00010501,-0.00012449,0.00021648,-0.01634146,0.13306617,-
 0.00001116,0.00000777,0.00000012,0.00004654,0.00000976,-0.00001519,-0.
 00006697,-0.00023643,-0.00000292,0.00050762,0.00030606,0.00016209,-0.0
 0090489,0.00154285,0.00092622,-0.00055618,-0.00966612,-0.01661432,0.00
 382484,0.00332938,-0.00067670,-0.00001164,0.00000391,0.00001336,0.0000
 0751,-0.00000593,0.00000289,0.00000225,0.00003626,-0.00006697,0.021609
 65,-0.12412676,-0.21994048,-0.00000282,0.00000448,-0.00000060,-0.00000
 625,0.00000489,0.00000336,0.00000792,0.00000497,-0.00000155,0.00000671
 ,0.00000295,-0.00000100,-0.00001349,-0.00001179,0.00000692,-0.00000288
 ,-0.00000330,-0.00000381,-0.00000192,0.00000206,0.00000552,0.00000057,
 0.00000303,-0.00000282,0.00000398,0.00000170,0.00000029,-0.00000315,0.
 00000725,-0.00000175,-0.00000012,-0.00000263,0.00000046,-0.00011287,-0
 .00009423,-0.00004013,0.00016359,-0.00019943,0.00026956,-0.02611067,0.
 13280333,0.24003066,-0.00002172,0.00001106,-0.00001519,0.00002553,-0.0
 0006411,-0.00012134,-0.00022657,-0.00009068,0.00041839,-0.00088815,0.0
 0018704,-0.00104903,-0.00282091,-0.00246921,0.00447551,-0.02451577,0.0
 0247226,-0.01871059,0.00536656,0.00117762,-0.00014605,-0.00004230,-0.0
 0000144,0.00003859,-0.00003023,-0.00000562,0.00003358,-0.00003685,0.00
 006242,-0.00006749,-0.23460518,0.01110663,-0.12468484,-0.00000849,0.00
 000441,-0.00000870,-0.00003698,-0.00000571,0.00000917,0.00002087,0.000
 00633,-0.00001617,0.00001038,-0.00000333,0.00000909,-0.00002575,-0.000
 02737,-0.00000728,0.00000779,-0.00000073,-0.00000982,-0.00001898,0.000
 00969,0.00001511,0.00000935,-0.00000773,-0.00000899,0.00001266,-0.0000
 0511,-0.00000361,-0.00001848,0.00002522,-0.00000287,0.00000460,-0.0000
 0450,-0.00000236,-0.00006720,-0.00002789,0.00001584,0.00050121,0.00011
 435,0.00001302,0.00505906,-0.00105302,0.00319782,0.25470978,-0.0000015
 9,0.00001480,0.00000704,0.00001913,0.00000609,0.00004330,-0.00000685,-
 0.00044604,-0.00000928,-0.00051236,0.00031005,-0.00035648,-0.00149686,
 0.00121842,0.00233567,-0.01000682,-0.00026695,-0.00732269,0.00155600,-
 0.00047437,-0.00094178,0.00000315,-0.00000421,-0.00000190,-0.00000544,
 -0.00001270,0.00000315,-0.00005240,0.00005028,-0.00007141,0.01283168,-
 0.04873727,0.00824662,-0.00000203,0.00000279,-0.00000153,-0.00000807,0
 .00000966,0.00000419,0.00000099,-0.00000232,-0.00000826,0.00000664,0.0
 0000768,0.00000464,-0.00001807,-0.00001110,-0.00000085,-0.00000028,0.0
 0000018,-0.00000412,-0.00000158,0.00000076,0.00000228,-0.00000347,-0.0
 0000199,0.00000269,-0.00000056,0.00000474,0.00000599,0.00000220,0.0000
 0183,0.00000034,-0.00000274,-0.00000260,-0.00000186,-0.00000212,0.0000
 4114,0.00000079,0.00005355,-0.00013901,-0.00013764,-0.01600503,0.00088
 122,-0.00911146,-0.01169156,0.04703121,-0.00000207,0.00000374,0.000007
 02,0.00003212,0.00001715,0.00003651,0.00011154,-0.00006218,-0.00018349
 ,0.00091965,-0.00001179,0.00071357,0.00172154,0.00184690,-0.00209864,0
 .01697532,-0.00108975,0.01048864,-0.00125512,-0.00114359,0.00154656,0.
 00000824,0.00000660,-0.00000467,0.00001361,0.00000066,-0.00001209,0.00
 002013,0.00000189,-0.00000445,-0.12961348,0.00738710,-0.13372650,-0.00
 000016,0.00000127,-0.00000045,0.00000419,0.00000304,0.00000295,-0.0000
 0427,-0.00000590,0.00001376,-0.00000166,0.00000385,0.00000156,0.000001
 02,0.00000103,-0.00000121,0.00000193,0.00000083,-0.00000079,-0.0000033
 2,0.00000118,-0.00000053,-0.00000162,-0.00000476,-0.00000230,-0.000001
 36,-0.00000531,-0.00000359,-0.00000314,-0.00000357,0.00000397,0.000003
 47,0.00000039,0.00000136,-0.00004251,-0.00001121,0.00004814,0.00019320
 ,-0.00010344,0.00019467,-0.02078308,0.00287517,-0.01263554,0.13743662,
 -0.00914655,0.14046256,-0.00000405,0.00001695,0.00000428,0.00008929,0.
 00003019,0.00003114,-0.00008754,-0.00057722,-0.00016047,0.00084025,0.0
 0029902,-0.00034713,-0.00142865,0.00258720,0.00046155,0.00873401,-0.02
 624392,0.00488806,-0.00321457,0.00172662,0.00396550,-0.00001640,-0.000
 01140,0.00000200,0.00000931,-0.00001108,-0.00000999,-0.00000156,0.0000
 7296,-0.00008052,-0.05421218,0.03433640,-0.01403256,-0.00000525,0.0000
 0414,-0.00000225,-0.00000122,0.00001414,0.00000414,-0.00002710,0.00001
 009,-0.00002244,0.00000705,0.00000695,0.00000136,-0.00002638,-0.000020
 27,0.00000281,0.00000730,0.00000921,-0.00000496,-0.00000428,0.00000048
 ,-0.00000127,-0.00000181,-0.00001582,0.00000909,0.00000210,0.00001276,
 0.00001138,0.00000982,0.00000925,-0.00000377,-0.00000447,-0.00000155,-
 0.00000463,0.00012976,0.00022103,0.00011652,-0.00054616,-0.00019271,-0
 .00025492,-0.00097176,0.00388440,-0.00157396,-0.00236426,0.02534449,-0
 .00573077,0.05308877,0.00000735,0.00000245,0.00000675,-0.00000783,0.00
 000347,0.00003745,0.00001959,-0.00015512,-0.00003193,-0.00032848,0.000
 29241,-0.00030438,-0.00015824,0.00123053,0.00088547,0.00400501,-0.0093
 2394,0.00281733,-0.00230280,0.00024758,0.00048303,0.00000567,-0.000008
 82,-0.00000765,0.00000072,-0.00000204,-0.00000613,-0.00001871,0.000007
 43,-0.00001529,0.03747661,-0.27527393,0.07394764,-0.00000286,0.0000010
 6,-0.00000120,0.00000336,0.00000588,-0.00000066,-0.00002139,0.00000062
 ,-0.00001582,0.00000648,0.00000778,-0.00000773,-0.00000202,0.00000150,
 0.00000509,0.00000170,0.00000676,-0.00000273,0.00000049,-0.00000091,-0
 .00000271,0.00000008,-0.00000500,0.00000606,0.00000024,0.00000937,0.00
 000902,0.00000735,-0.00000057,-0.00000104,-0.00000687,-0.00000171,-0.0
 0000472,0.00016992,-0.00003318,-0.00006047,-0.00032320,-0.00007036,-0.
 00052517,0.00269915,-0.01758681,0.00538741,0.00028098,0.00051771,-0.00
 056273,-0.04151233,0.30012786,0.00001258,0.00001149,-0.00000860,0.0000
 1480,-0.00003112,-0.00006441,-0.00012560,0.00023747,0.00015349,0.00036
 188,-0.00005081,-0.00017657,-0.00031182,-0.00190107,0.00020776,-0.0047
 7266,0.01793114,-0.00769961,0.00448293,-0.00112844,-0.00291513,-0.0000
 0718,0.00001109,0.00002007,-0.00000317,0.00000717,0.00000716,0.0000240
 0,-0.00001207,-0.00001097,-0.01503128,0.07682063,-0.06250671,-0.000003
 07,-0.00000330,-0.00000421,-0.00000268,-0.00000739,-0.00000158,-0.0000
 0087,-0.00000894,-0.00001874,0.00000128,-0.00000105,-0.00000180,0.0000
 0033,-0.00000949,0.00000024,-0.00000453,-0.00000789,0.00000034,-0.0000
 0190,-0.00000140,0.00000225,-0.00000088,-0.00000005,-0.00000789,0.0000
 0127,-0.00000537,0.00000683,-0.00000252,0.00000755,-0.00000656,-0.0000
 0766,-0.00000622,-0.00000951,-0.00006750,0.00001779,-0.00004006,-0.000
 01783,0.00000890,0.00008650,0.00353865,-0.02630283,0.00858230,-0.00080
 840,0.01645909,-0.00484702,0.01273182,-0.08203489,0.06925241\\0.000003
 49,-0.00000196,0.00001647,-0.00001040,0.00000772,-0.00002810,-0.000014
 26,0.00003565,-0.00001746,0.00001728,-0.00000894,-0.00000484,-0.000012
 09,-0.00000199,0.00000577,0.00000624,-0.00000006,0.00000806,-0.0000001
 5,-0.00000035,-0.00000526,0.00000053,-0.00001606,0.00001516,-0.0000056
 8,0.00000060,0.00001640,0.00000136,-0.00003521,0.00001394,0.00000392,-
 0.00000234,0.00000152,0.00000495,0.00000373,-0.00000469,-0.00000518,0.
 00000279,-0.00000250,0.00000970,-0.00000342,0.00000485,0.00000730,0.00
 000534,-0.00000556,-0.00000556,0.00000260,-0.00000309,-0.00000070,-0.0
 0000058,-0.00000109,-0.00000070,0.00000083,0.00000009,0.00000172,-0.00
 000076,-0.00000209,0.00000167,0.00000651,0.00000115,-0.00000279,0.0000
 0352,0.00000023,0.00000129,0.00000303,-0.00000135,-0.00000122,-0.00000
 393,0.00000063,-0.00000020,0.00000337,-0.00000263,-0.00000005,-0.00000
 028,-0.00000315,0.00000040,-0.00000113,0.00000004,-0.00000086,0.000001
 30,-0.00000253\\\@


 TO SEE A WORLD IN A GRAIN OF SAND
 AND A HEAVEN IN A WILD FLOWER
 HOLD INFINITY IN THE PALM OF YOUR HAND
 AND ETERNITY IN AN HOUR

                       -- WILLIAM BLAKE
 Job cpu time:       0 days  9 hours 33 minutes  1.9 seconds.
 Elapsed time:       0 days  1 hours 12 minutes  4.3 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:19:43 2021.
